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

Systemtic Name: 4-[[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H38N4O3S/c1-3-21(2)32-27(35)20-38-30-33-26-12-8-7-11-25(26)29(37)34(30)19-23-13-15-24(16-14-23)28(36)31-18-17-22-9-5-4-6-10-22/h4-12,21,23-24H,3,13-20H2,1-2H3,(H,31,36)(H,32,35)