N'-(2-methylpropanoyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide

Systemtic Name: N'-(2-methylpropanoyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Openeye Name: N'-(2-methylpropanoyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carbohydrazide CAS Name: N'-(2-methyl-1-oxopropyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide IUPAC Name: N'-(2-methylpropanoyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carbohydrazide Traditional Name: N'-isobutyryl-4-keto-3-phenethyl-2-thioxo-1H-quinazoline-7-carbohydrazide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

InChI

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