N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-phenyl-benzamide Formula: C24H21N3OS2 MolecularWeight: 431.57304

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3OS2/c1-15-7-12-19-20(14-25)23(30-21(19)13-15)27-24(29)26-22(28)18-10-8-17(9-11-18)16-5-3-2-4-6-16/h2-6,8-11,15H,7,12-13H2,1H3,(H2,26,27,28,29)