1-[2-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[2-[methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-[benzyl(methyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-[methyl-(phenylmethyl)amino]-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[2-[benzyl(methyl)amino]-2-keto-ethyl]thio]-4-keto-3-phenyl-quinazoline-7-carbonyl]isonipecotamide Formula: C31H31N5O4S MolecularWeight: 569.67394

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C31H31N5O4S/c1-34(19-21-8-4-2-5-9-21)27(37)20-41-31-33-26-18-23(29(39)35-16-14-22(15-17-35)28(32)38)12-13-25(26)30(40)36(31)24-10-6-3-7-11-24/h2-13,18,22H,14-17,19-20H2,1H3,(H2,32,38)