3-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CN=CN4)NC2=S)Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CN=CN4)NC2=S)Cl

InChI

InChI=1S/C21H18ClN5O2S/c22-15-4-1-13(2-5-15)11-27-20(29)17-6-3-14(9-18(17)26-21(27)30)19(28)24-8-7-16-10-23-12-25-16/h1-6,9-10,12H,7-8,11H2,(H,23,25)(H,24,28)(H,26,30)