4-(4-bromanylthiophen-2-yl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(4-bromanylthiophen-2-yl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(4-bromo-2-thienyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-bromo-2-thiophenyl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-bromothiophen-2-yl)-N-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(4-bromo-2-thienyl)-N-(4-methoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CS2)Br)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CS2)Br)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16BrN3O2S2/c1-9-14(16(22)20-11-3-5-12(23-2)6-4-11)15(21-17(24)19-9)13-7-10(18)8-25-13/h3-8,15H,1-2H3,(H,20,22)(H2,19,21,24)