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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methyl-1-piperazinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-[3-(4-methylpiperazino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H28ClN5O2S MolecularWeight: 486.02942

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN5O2S/c1-28-11-13-29(14-12-28)10-2-9-26-22(31)18-5-8-20-21(15-18)27-24(33)30(23(20)32)16-17-3-6-19(25)7-4-17/h3-8,15H,2,9-14,16H2,1H3,(H,26,31)(H,27,33)