3-(1H-indol-3-yl)-N-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)propanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-(4-oxidanylidene-2-phenacylsulfanyl-quinazolin-3-yl)propanamide Openeye Name: 3-(1H-indol-3-yl)-N-(4-oxo-2-phenacylsulfanyl-quinazolin-3-yl)propanamide CAS Name: 3-(1H-indol-3-yl)-N-[4-oxo-2-(phenacylthio)-3-quinazolinyl]propanamide IUPAC Name: 3-(1H-indol-3-yl)-N-(4-oxo-2-phenacylsulfanylquinazolin-3-yl)propanamide Traditional Name: 3-(1H-indol-3-yl)-N-[4-keto-2-(phenacylthio)quinazolin-3-yl]propionamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H22N4O3S/c32-24(18-8-2-1-3-9-18)17-35-27-29-23-13-7-5-11-21(23)26(34)31(27)30-25(33)15-14-19-16-28-22-12-6-4-10-20(19)22/h1-13,16,28H,14-15,17H2,(H,30,33)