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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methyl-benzamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-methyl-benzamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-methylbenzamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-methyl-benzamide Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C18H17N3OS2/c1-11-6-2-3-7-12(11)16(22)20-18(23)21-17-14(10-19)13-8-4-5-9-15(13)24-17/h2-3,6-7H,4-5,8-9H2,1H3,(H2,20,21,22,23)