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

Systemtic Name: 4-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-methyl-pentanamide Openeye Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-methyl-pentanamide CAS Name: 4-chloro-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-methylpentanamide Traditional Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-methyl-valeramide Formula: C16H20ClN3OS2 MolecularWeight: 369.9325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N)Cl

Isomeric SMILES

CC(C)(CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N)Cl

InChI

InChI=1S/C16H20ClN3OS2/c1-16(2,17)8-7-13(21)19-15(22)20-14-11(9-18)10-5-3-4-6-12(10)23-14/h3-8H2,1-2H3,(H2,19,20,21,22)