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

Systemtic Name: N-butyl-3-[(2-chlorophenyl)methyl]-N-ethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-butyl-3-[(2-chlorophenyl)methyl]-N-ethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butyl-3-[(2-chlorophenyl)methyl]-N-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butyl-3-[(2-chlorophenyl)methyl]-N-ethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-butyl-3-(2-chlorobenzyl)-N-ethyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-3-5-12-25(4-2)20(27)15-10-11-17-19(13-15)24-22(29)26(21(17)28)14-16-8-6-7-9-18(16)23/h6-11,13H,3-5,12,14H2,1-2H3,(H,24,29)