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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-isopentyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-isoamyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)9-10-23-19(26)15-5-8-17-18(11-15)24-21(28)25(20(17)27)12-14-3-6-16(22)7-4-14/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,26)(H,24,28)