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

Systemtic Name: N-butyl-3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-butyl-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-butyl-3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-2-3-10-22-18(25)14-6-9-16-17(11-14)23-20(27)24(19(16)26)12-13-4-7-15(21)8-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27)