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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-N-[2-(p-tolylsulfanyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-[2-(p-tolylthio)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C21H21N3O2S2/c1-3-11-24-20(26)17-9-6-15(13-18(17)23-21(24)27)19(25)22-10-12-28-16-7-4-14(2)5-8-16/h3-9,13H,1,10-12H2,2H3,(H,22,25)(H,23,27)