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

Systemtic Name: 4-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-oxidanylidene-quinazolin-3-yl]methyl]-N-propan-2-yl-benzamide Openeye Name: 4-[[2-(2-amino-2-oxo-ethyl)sulfanyl-4-oxo-quinazolin-3-yl]methyl]-N-isopropyl-benzamide CAS Name: 4-[[2-[(2-amino-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]methyl]-N-propan-2-ylbenzamide IUPAC Name: 4-[[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide Traditional Name: 4-[[2-[(2-amino-2-keto-ethyl)thio]-4-keto-quinazolin-3-yl]methyl]-N-isopropyl-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N

Isomeric SMILES

CC(C)NC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-13(2)23-19(27)15-9-7-14(8-10-15)11-25-20(28)16-5-3-4-6-17(16)24-21(25)29-12-18(22)26/h3-10,13H,11-12H2,1-2H3,(H2,22,26)(H,23,27)