N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C20H20N4O3S/c1-11(2)17(25)22-14-5-3-4-12(8-14)10-21-18(26)13-6-7-15-16(9-13)23-20(28)24-19(15)27/h3-9,11H,10H2,1-2H3,(H,21,26)(H,22,25)(H2,23,24,27,28)