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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methyl-1-piperidyl)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methyl-1-piperidinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-[3-(4-methylpiperidino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O2S/c1-17-9-13-29(14-10-17)12-2-11-27-23(31)19-5-8-21-22(15-19)28-25(33)30(24(21)32)16-18-3-6-20(26)7-4-18/h3-8,15,17H,2,9-14,16H2,1H3,(H,27,31)(H,28,33)