N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]nicotinamide Formula: C17H16N4OS2 MolecularWeight: 356.46514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H16N4OS2/c18-9-13-12-6-2-1-3-7-14(12)24-16(13)21-17(23)20-15(22)11-5-4-8-19-10-11/h4-5,8,10H,1-3,6-7H2,(H2,20,21,22,23)