N-[(4-acetamidophenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-acetamidobenzyl)-3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H20N4O3S/c1-3-10-25-20(28)17-9-6-15(11-18(17)24-21(25)29)19(27)22-12-14-4-7-16(8-5-14)23-13(2)26/h3-9,11H,1,10,12H2,2H3,(H,22,27)(H,23,26)(H,24,29)