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

Systemtic Name: 4-[[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide Openeye Name: 4-[[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]-N-(tetrahydrofuran-2-ylmethyl)cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-(2-oxolanylmethyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide Traditional Name: 4-[[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]quinazolin-3-yl]methyl]-N-(tetrahydrofurfuryl)cyclohexanecarboxamide Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4CCCO4

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4CCCO4

InChI

InChI=1S/C27H38N4O4S/c1-3-18(2)29-24(32)17-36-27-30-23-9-5-4-8-22(23)26(34)31(27)16-19-10-12-20(13-11-19)25(33)28-15-21-7-6-14-35-21/h4-5,8-9,18-21H,3,6-7,10-17H2,1-2H3,(H,28,33)(H,29,32)