N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[1-(4,5-dimethoxy-2-methyl-phenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC)OC

InChI

InChI=1S/C23H25N3O4S/c1-6-9-26-22(28)16-8-7-15(11-18(16)25-23(26)31)21(27)24-14(3)17-12-20(30-5)19(29-4)10-13(17)2/h6-8,10-12,14H,1,9H2,2-5H3,(H,24,27)(H,25,31)