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

Systemtic Name: 3-[4-[4-(phenylmethyl)piperidin-1-yl]carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C27H25N3O2S/c31-25(29-16-14-20(15-17-29)18-19-6-2-1-3-7-19)21-10-12-22(13-11-21)30-26(32)23-8-4-5-9-24(23)28-27(30)33/h1-13,20H,14-18H2,(H,28,33)