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

Systemtic Name: N-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]nicotinamide Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H18N4O2S2/c1-9-4-5-11-12(7-9)25-16(13(11)14(18)22)21-17(24)20-15(23)10-3-2-6-19-8-10/h2-3,6,8-9H,4-5,7H2,1H3,(H2,18,22)(H2,20,21,23,24)