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

Systemtic Name: 4-[[2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-(phenylmethyl)cyclohexane-1-carboxamide Openeye Name: N-benzyl-4-[[2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: 4-[[2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-(phenylmethyl)-1-cyclohexanecarboxamide IUPAC Name: N-benzyl-4-[[2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-benzyl-4-[[2-[[2-(isoamylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O3S/c1-21(2)16-17-31-27(35)20-38-30-33-26-11-7-6-10-25(26)29(37)34(30)19-23-12-14-24(15-13-23)28(36)32-18-22-8-4-3-5-9-22/h3-11,21,23-24H,12-20H2,1-2H3,(H,31,35)(H,32,36)