4-[[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide

Systemtic Name: 4-[[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C35H38N4O5S MolecularWeight: 626.76502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5CCC(CC5)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C(=O)N3CC5CCC(CC5)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C35H38N4O5S/c1-2-31(33(41)37-26-16-17-29-30(20-26)44-22-43-29)45-35-38-28-11-7-6-10-27(28)34(42)39(35)21-24-12-14-25(15-13-24)32(40)36-19-18-23-8-4-3-5-9-23/h3-11,16-17,20,24-25,31H,2,12-15,18-19,21-22H2,1H3,(H,36,40)(H,37,41)