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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]hexanamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]hexanamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]hexanamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]hexanamide Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS2/c1-2-3-4-9-14(20)18-16(21)19-15-12(10-17)11-7-5-6-8-13(11)22-15/h2-9H2,1H3,(H2,18,19,20,21)