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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-benzylpiperidine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-7-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-benzylpiperidine-1-carbonyl)-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzylpiperidine-1-carbonyl)-3-(4-chlorobenzyl)-2-thioxo-1H-quinazolin-4-one Formula: C28H26ClN3O2S MolecularWeight: 504.04294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=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(CCC1CC2=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/C28H26ClN3O2S/c29-23-9-6-21(7-10-23)18-32-27(34)24-11-8-22(17-25(24)30-28(32)35)26(33)31-14-12-20(13-15-31)16-19-4-2-1-3-5-19/h1-11,17,20H,12-16,18H2,(H,30,35)