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

Systemtic Name: 1-[2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-3-phenyl-quinazoline-7-carbonyl]isonipecotamide Formula: C31H31N5O5S MolecularWeight: 585.67334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C31H31N5O5S/c1-2-41-24-11-9-22(10-12-24)33-27(37)19-42-31-34-26-18-21(29(39)35-16-14-20(15-17-35)28(32)38)8-13-25(26)30(40)36(31)23-6-4-3-5-7-23/h3-13,18,20H,2,14-17,19H2,1H3,(H2,32,38)(H,33,37)