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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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