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

Systemtic Name: 4-chloranyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Openeye Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]butanamide CAS Name: 4-chloro-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]butanamide Traditional Name: 4-chloro-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]butyramide Formula: C14H16ClN3OS2 MolecularWeight: 341.87934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCCCl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)CCCCl)C#N

InChI

InChI=1S/C14H16ClN3OS2/c15-7-3-6-12(19)17-14(20)18-13-10(8-16)9-4-1-2-5-11(9)21-13/h1-7H2,(H2,17,18,19,20)