1-[3-cyclohexyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-cyclohexyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C32H37N5O4S MolecularWeight: 587.73228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)N5CCCC6=CC=CC=C65

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC(=O)N5CCCC6=CC=CC=C65

InChI

InChI=1S/C32H37N5O4S/c33-29(39)22-14-17-35(18-15-22)30(40)23-12-13-25-26(19-23)34-32(37(31(25)41)24-9-2-1-3-10-24)42-20-28(38)36-16-6-8-21-7-4-5-11-27(21)36/h4-5,7,11-13,19,22,24H,1-3,6,8-10,14-18,20H2,(H2,33,39)