(6S)-2-[(3-bromophenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-2-[(3-bromophenyl)carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(3-bromobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(3-bromobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(3-bromobenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H18BrN3O2S2/c1-9-5-6-12-13(7-9)26-17(14(12)15(20)23)22-18(25)21-16(24)10-3-2-4-11(19)8-10/h2-4,8-9H,5-7H2,1H3,(H2,20,23)(H2,21,22,24,25)/t9-/m0/s1