2-(4-phenylbutanoylamino)-N-(phenylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-(4-phenylbutanoylamino)-N-(phenylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-benzyl-2-(4-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[(1-oxo-4-phenylbutyl)amino]-N-(phenylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-benzyl-2-(4-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-benzyl-2-(4-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C27H30N2O2S MolecularWeight: 446.6043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O2S/c30-24(18-10-15-20-11-4-1-5-12-20)29-27-25(22-16-8-3-9-17-23(22)32-27)26(31)28-19-21-13-6-2-7-14-21/h1-2,4-7,11-14H,3,8-10,15-19H2,(H,28,31)(H,29,30)