3-(6-acetamidopyridin-3-yl)-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(6-acetamidopyridin-3-yl)-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(6-acetamido-3-pyridyl)-N-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(6-acetamido-3-pyridinyl)-N-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(6-acetamidopyridin-3-yl)-N-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(6-acetamido-3-pyridyl)-N-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H18ClN5O3S MolecularWeight: 479.93872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C23H18ClN5O3S/c1-13(30)27-20-9-7-17(12-25-20)29-22(32)18-8-4-15(10-19(18)28-23(29)33)21(31)26-11-14-2-5-16(24)6-3-14/h2-10,12H,11H2,1H3,(H,26,31)(H,28,33)(H,25,27,30)