N-(2-ethyl-6-propan-2-yl-phenyl)-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide

Systemtic Name: N-(2-ethyl-6-propan-2-yl-phenyl)-N'-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)ethanediamide Openeye Name: N-(2-ethyl-6-isopropyl-phenyl)-N'-(4-oxo-2-thioxo-1H-quinazolin-3-yl)oxamide CAS Name: N-(2-ethyl-6-propan-2-ylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide IUPAC Name: N-(2-ethyl-6-propan-2-ylphenyl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide Traditional Name: N-(2-ethyl-6-isopropyl-phenyl)-N'-(4-keto-2-thioxo-1H-quinazolin-3-yl)oxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C21H22N4O3S/c1-4-13-8-7-10-14(12(2)3)17(13)23-18(26)19(27)24-25-20(28)15-9-5-6-11-16(15)22-21(25)29/h5-12H,4H2,1-3H3,(H,22,29)(H,23,26)(H,24,27)