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

Systemtic Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C

Isomeric SMILES

CN1C=CN=C1C(C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C

InChI

InChI=1S/C21H18ClN5O2S/c1-26-10-9-23-18(26)17(12-3-6-14(22)7-4-12)25-19(28)13-5-8-15-16(11-13)24-21(30)27(2)20(15)29/h3-11,17H,1-2H3,(H,24,30)(H,25,28)