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

Systemtic Name: 4-[[2-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[4-oxo-2-[2-oxo-2-(sec-butylamino)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(butan-2-ylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[4-keto-2-[[2-keto-2-(sec-butylamino)ethyl]thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C29H36N4O3S MolecularWeight: 520.68614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H36N4O3S/c1-3-20(2)31-26(34)19-37-29-32-25-12-8-7-11-24(25)28(36)33(29)18-22-13-15-23(16-14-22)27(35)30-17-21-9-5-4-6-10-21/h4-12,20,22-23H,3,13-19H2,1-2H3,(H,30,35)(H,31,34)