2-methylsulfanyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: 2-methylsulfanyl-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(methylthio)nicotinamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S2/c1-29-22-17(11-7-13-24-22)20(27)26-23-19(16-10-5-6-12-18(16)30-23)21(28)25-14-15-8-3-2-4-9-15/h2-4,7-9,11,13H,5-6,10,12,14H2,1H3,(H,25,28)(H,26,27)