2-[(3-methylphenyl)carbonylamino]-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-methylphenyl)carbonylamino]-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-methylbenzoyl)amino]-N-(3-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-N-(3-pyridinyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-methylbenzoyl)amino]-N-pyridin-3-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(m-toluoylamino)-N-(3-pyridyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=CN=CC=C4

InChI

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