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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-(isovalerylamino)phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-4-11-27-22(30)18-10-5-15(13-19(18)26-23(27)31)21(29)25-17-8-6-16(7-9-17)24-20(28)12-14(2)3/h4-10,13-14H,1,11-12H2,2-3H3,(H,24,28)(H,25,29)(H,26,31)