3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(propanoylamino)phenyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(propanoylamino)phenyl]propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[3-(propanoylamino)phenyl]propanamide CAS Name: N-[3-(1-oxopropylamino)phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(propanoylamino)phenyl]propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-propionamidophenyl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H20N4O3S/c1-2-17(25)21-13-6-5-7-14(12-13)22-18(26)10-11-24-19(27)15-8-3-4-9-16(15)23-20(24)28/h3-9,12H,2,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,28)