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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H20N4O3S/c1-13(25)22-15-8-6-14(7-9-15)12-21-18(26)10-11-24-19(27)16-4-2-3-5-17(16)23-20(24)28/h2-9H,10-12H2,1H3,(H,21,26)(H,22,25)(H,23,28)