2-[3-[(Z)-[1-(4-bromophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-[(Z)-[1-(4-bromophenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[3-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-1-pyrrolyl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-[(Z)-[1-(4-bromophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-[(Z)-[1-(4-bromophenyl)-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]-N-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C32H27BrN4O3S2 MolecularWeight: 659.61578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)C=C5C(=O)NC(=S)N(C5=O)C6=CC=C(C=C6)Br

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)NC4=CC=CC=C4)C)/C=C\5/C(=O)NC(=S)N(C5=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C32H27BrN4O3S2/c1-18-16-20(17-25-28(38)35-32(41)37(30(25)40)23-14-12-21(33)13-15-23)19(2)36(18)31-27(24-10-6-7-11-26(24)42-31)29(39)34-22-8-4-3-5-9-22/h3-5,8-9,12-17H,6-7,10-11H2,1-2H3,(H,34,39)(H,35,38,41)/b25-17-