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

Systemtic Name: N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Openeye Name: N-[3-(m-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-4-carboxamide CAS Name: N-[3-[(3-methylanilino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-pyridinecarboxamide IUPAC Name: N-[3-[(3-methylphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-4-carboxamide Traditional Name: N-[3-(m-tolylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]isonicotinamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O2S/c1-14-5-4-6-16(13-14)24-21(27)19-17-7-2-3-8-18(17)28-22(19)25-20(26)15-9-11-23-12-10-15/h4-6,9-13H,2-3,7-8H2,1H3,(H,24,27)(H,25,26)