2-(4-phenylbutanoylamino)-N-(phenylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide

Systemtic Name: 2-(4-phenylbutanoylamino)-N-(phenylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Openeye Name: N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide CAS Name: 2-[(1-oxo-4-phenylbutyl)amino]-N-(phenylmethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide IUPAC Name: N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Traditional Name: N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=O)CCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=O)CCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2S/c31-25(19-11-16-21-12-5-3-6-13-21)30-28-26(23-17-9-1-2-10-18-24(23)33-28)27(32)29-20-22-14-7-4-8-15-22/h3-8,12-15H,1-2,9-11,16-20H2,(H,29,32)(H,30,31)