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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-3-methyl-butyramide Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3OS2/c1-9(2)7-13(19)17-15(20)18-14-11(8-16)10-5-3-4-6-12(10)21-14/h9H,3-7H2,1-2H3,(H2,17,18,19,20)