N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(3-methylsulfanylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[3-(methylthio)phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C19H17N3O2S2/c1-3-9-22-18(24)15-8-7-12(10-16(15)21-19(22)25)17(23)20-13-5-4-6-14(11-13)26-2/h3-8,10-11H,1,9H2,2H3,(H,20,23)(H,21,25)