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

Systemtic Name: 3-(3-methoxypropyl)-N-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-15(2)13-21(29)25-17-6-8-18(9-7-17)26-22(30)16-5-10-19-20(14-16)27-24(33)28(23(19)31)11-4-12-32-3/h5-10,14-15H,4,11-13H2,1-3H3,(H,25,29)(H,26,30)(H,27,33)