N-(4-methylphenyl)-1-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: N-(4-methylphenyl)-1-[2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-N-(p-tolyl)piperidine-4-carboxamide CAS Name: N-(4-methylphenyl)-1-[1-oxo-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-N-(4-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-[2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetyl]-N-(p-tolyl)isonipecotamide Formula: C30H30N4O3S MolecularWeight: 526.6492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O3S/c1-21-11-13-24(14-12-21)31-28(36)23-15-17-33(18-16-23)27(35)20-38-30-32-26-10-6-5-9-25(26)29(37)34(30)19-22-7-3-2-4-8-22/h2-14,23H,15-20H2,1H3,(H,31,36)