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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,3-dimethyl-1-(phenylmethyl)indole-5-carboxamide Openeye Name: 1-benzyl-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2,3-dimethyl-indole-5-carboxamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide IUPAC Name: 1-benzyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2,3-dimethylindole-5-carboxamide Traditional Name: 1-benzyl-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2,3-dimethyl-indole-5-carboxamide Formula: C28H26N4OS2 MolecularWeight: 498.66224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C#N)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCC4)C#N)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H26N4OS2/c1-17-18(2)32(16-19-8-4-3-5-9-19)24-13-12-20(14-22(17)24)26(33)30-28(34)31-27-23(15-29)21-10-6-7-11-25(21)35-27/h3-5,8-9,12-14H,6-7,10-11,16H2,1-2H3,(H2,30,31,33,34)