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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCN(C)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-3-4-11-24(2)19(26)14-9-10-16-18(12-14)23-21(28)25(20(16)27)13-15-7-5-6-8-17(15)22/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,28)