N-[(4-cyano-5-methylsulfanyl-3-oxidanylidene-1,2-thiazol-2-yl)carbothioyl]-4-methoxy-benzamide

Systemtic Name: N-[(4-cyano-5-methylsulfanyl-3-oxidanylidene-1,2-thiazol-2-yl)carbothioyl]-4-methoxy-benzamide Openeye Name: N-(4-cyano-5-methylsulfanyl-3-oxo-isothiazole-2-carbothioyl)-4-methoxy-benzamide CAS Name: N-[[4-cyano-5-(methylthio)-3-oxo-2-isothiazolyl]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-(4-cyano-5-methylsulfanyl-3-oxo-1,2-thiazole-2-carbothioyl)-4-methoxybenzamide Traditional Name: N-[4-cyano-3-keto-5-(methylthio)-4-isothiazoline-2-carbothioyl]-4-methoxy-benzamide Formula: C14H11N3O3S3 MolecularWeight: 365.45044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)N2C(=O)C(=C(S2)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)N2C(=O)C(=C(S2)SC)C#N

InChI

InChI=1S/C14H11N3O3S3/c1-20-9-5-3-8(4-6-9)11(18)16-14(21)17-12(19)10(7-15)13(22-2)23-17/h3-6H,1-2H3,(H,16,18,21)