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

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS2/c1-11-4-5-15-16(10-21)19(26-17(15)9-11)23-20(25)22-18(24)14-7-12(2)6-13(3)8-14/h6-8,11H,4-5,9H2,1-3H3,(H2,22,23,24,25)