N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c1-3-18(2)19-10-12-20(13-11-19)26(24-9-6-16-32-24)28-25(31)14-15-29-22-8-5-4-7-21(22)23(30)17-27-29/h4-13,16-18,26H,3,14-15H2,1-2H3,(H,28,31)