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

Systemtic Name: 7-chloranyl-3-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-7-chloro-2-thioxo-1H-quinazolin-4-one CAS Name: 7-chloro-3-[3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-7-chloro-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzylpiperidine-1-carbonyl)phenyl]-7-chloro-2-thioxo-1H-quinazolin-4-one Formula: C27H24ClN3O2S MolecularWeight: 490.01636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=C(C=C(C=C5)Cl)NC4=S

InChI

InChI=1S/C27H24ClN3O2S/c28-21-9-10-23-24(17-21)29-27(34)31(26(23)33)22-8-4-7-20(16-22)25(32)30-13-11-19(12-14-30)15-18-5-2-1-3-6-18/h1-10,16-17,19H,11-15H2,(H,29,34)