4-[[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-cyclopentyl-benzamide

Systemtic Name: 4-[[2-[2-(butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-cyclopentyl-benzamide Openeye Name: 4-[[2-[2-(butylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-cyclopentyl-benzamide CAS Name: 4-[[2-[[2-(butylamino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]methyl]-N-cyclopentylbenzamide IUPAC Name: 4-[[2-[2-(butylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-cyclopentylbenzamide Traditional Name: 4-[[2-[[2-(butylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]methyl]-N-cyclopentyl-benzamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C(=O)NC4CCCC4

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C(=O)NC4CCCC4

InChI

InChI=1S/C27H32N4O3S/c1-2-3-16-28-24(32)18-35-27-30-23-11-7-6-10-22(23)26(34)31(27)17-19-12-14-20(15-13-19)25(33)29-21-8-4-5-9-21/h6-7,10-15,21H,2-5,8-9,16-18H2,1H3,(H,28,32)(H,29,33)