3-[(4-chlorophenyl)methyl]-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzylpiperazine-1-carbonyl)-3-(4-chlorobenzyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H25ClN4O2S MolecularWeight: 505.031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O2S/c28-22-9-6-20(7-10-22)18-32-26(34)23-11-8-21(16-24(23)29-27(32)35)25(33)31-14-12-30(13-15-31)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,29,35)