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

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-(isobutyrylamino)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-4-11-26-21(29)17-10-5-14(12-18(17)25-22(26)30)20(28)24-16-8-6-15(7-9-16)23-19(27)13(2)3/h4-10,12-13H,1,11H2,2-3H3,(H,23,27)(H,24,28)(H,25,30)