4-[[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H38N4O3S/c36-28(33-25-11-5-2-6-12-25)21-39-31-34-27-14-8-7-13-26(27)30(38)35(31)20-23-15-17-24(18-16-23)29(37)32-19-22-9-3-1-4-10-22/h1,3-4,7-10,13-14,23-25H,2,5-6,11-12,15-21H2,(H,32,37)(H,33,36)