N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide

Systemtic Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-yl-methyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-[(4-isobutylphenyl)-(2-thienyl)methyl]-3-(4-ketocinnolin-1-yl)propionamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C26H27N3O2S/c1-18(2)16-19-9-11-20(12-10-19)26(24-8-5-15-32-24)28-25(31)13-14-29-22-7-4-3-6-21(22)23(30)17-27-29/h3-12,15,17-18,26H,13-14,16H2,1-2H3,(H,28,31)