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

Systemtic Name: 4-[[2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C30H36N4O3S MolecularWeight: 532.69684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H36N4O3S/c35-27(32-24-10-4-5-11-24)20-38-30-33-26-13-7-6-12-25(26)29(37)34(30)19-22-14-16-23(17-15-22)28(36)31-18-21-8-2-1-3-9-21/h1-3,6-9,12-13,22-24H,4-5,10-11,14-20H2,(H,31,36)(H,32,35)