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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCCC5=CC=CC=C5

InChI

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