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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1CCN(CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN5O2S/c1-2-28-11-13-29(14-12-28)10-9-26-22(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)