2-[(4-methylphenyl)carbonylamino]-N-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]-N-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(4-methylbenzoyl)amino]-N-(2-pyridyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-N-(2-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(4-methylbenzoyl)amino]-N-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(p-toluoylamino)-N-(2-pyridyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C23H23N3O2S MolecularWeight: 405.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C23H23N3O2S/c1-15-10-12-16(13-11-15)21(27)26-23-20(17-7-3-2-4-8-18(17)29-23)22(28)25-19-9-5-6-14-24-19/h5-6,9-14H,2-4,7-8H2,1H3,(H,26,27)(H,24,25,28)