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

Systemtic Name: 4-[[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexane-1-carboxamide Openeye Name: 4-[[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-phenethyl-1-cyclohexanecarboxamide IUPAC Name: 4-[[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-phenethylcyclohexane-1-carboxamide Traditional Name: 4-[[2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]-N-phenethyl-cyclohexanecarboxamide Formula: C31H40N4O3S MolecularWeight: 548.7393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O3S/c1-22(2)16-18-32-28(36)21-39-31-34-27-11-7-6-10-26(27)30(38)35(31)20-24-12-14-25(15-13-24)29(37)33-19-17-23-8-4-3-5-9-23/h3-11,22,24-25H,12-21H2,1-2H3,(H,32,36)(H,33,37)