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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-[3-(2-ethyl-1-piperidyl)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-[3-(2-ethyl-1-piperidinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-[3-(2-ethylpiperidino)propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H31ClN4O2S MolecularWeight: 499.06794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4O2S/c1-2-21-6-3-4-14-30(21)15-5-13-28-24(32)19-9-12-22-23(16-19)29-26(34)31(25(22)33)17-18-7-10-20(27)11-8-18/h7-12,16,21H,2-6,13-15,17H2,1H3,(H,28,32)(H,29,34)