7-chloranyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-thioxo-1H-quinazolin-4-one CAS Name: 7-chloro-3-[3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-thioxo-1H-quinazolin-4-one Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

InChI

InChI=1S/C26H23ClN4O2S/c27-20-9-10-22-23(16-20)28-26(34)31(25(22)33)21-8-4-7-19(15-21)24(32)30-13-11-29(12-14-30)17-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,28,34)