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

Systemtic Name: 5-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]nicotinamide Formula: C16H13BrN4OS2 MolecularWeight: 421.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=CN=C3)Br)C#N

InChI

InChI=1S/C16H13BrN4OS2/c17-10-5-9(7-19-8-10)14(22)20-16(23)21-15-12(6-18)11-3-1-2-4-13(11)24-15/h5,7-8H,1-4H2,(H2,20,21,22,23)