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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]octanamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]octanamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]octanamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]caprylamide Formula: C18H25N3OS2 MolecularWeight: 363.5406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS2/c1-2-3-4-5-6-11-16(22)20-18(23)21-17-14(12-19)13-9-7-8-10-15(13)24-17/h2-11H2,1H3,(H2,20,21,22,23)