N-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O3S/c1-3-8-25-19(28)14-6-4-12(9-17(14)24-20(25)29)18(27)23-13-5-7-16(15(21)10-13)22-11(2)26/h3-7,9-10H,1,8H2,2H3,(H,22,26)(H,23,27)(H,24,29)