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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-ethyl-1-piperazinyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-N-[3-(4-ethylpiperazino)propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H30ClN5O2S MolecularWeight: 500.056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN5O2S/c1-2-29-12-14-30(15-13-29)11-3-10-27-23(32)19-6-9-21-22(16-19)28-25(34)31(24(21)33)17-18-4-7-20(26)8-5-18/h4-9,16H,2-3,10-15,17H2,1H3,(H,27,32)(H,28,34)