methyl 4-[[(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-[(3-methylsulfanylphenyl)amino]methylidene]amino]benzoate

Systemtic Name: methyl 4-[[(3-azanylidene-5-methyl-1,2-thiazol-2-yl)-[(3-methylsulfanylphenyl)amino]methylidene]amino]benzoate Openeye Name: methyl 4-[[(3-imino-5-methyl-isothiazol-2-yl)-(3-methylsulfanylanilino)methylene]amino]benzoate CAS Name: 4-[[(3-imino-5-methyl-2-isothiazolyl)-[3-(methylthio)anilino]methylidene]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-imino-5-methyl-1,2-thiazol-2-yl)-(3-methylsulfanylanilino)methylidene]amino]benzoate Traditional Name: 4-[[(3-imino-5-methyl-4-isothiazolin-2-yl)-[3-(methylthio)anilino]methylene]amino]benzoic acid methyl ester Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N)N(S1)C(=NC2=CC=C(C=C2)C(=O)OC)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=N)N(S1)C(=NC2=CC=C(C=C2)C(=O)OC)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H20N4O2S2/c1-13-11-18(21)24(28-13)20(23-16-5-4-6-17(12-16)27-3)22-15-9-7-14(8-10-15)19(25)26-2/h4-12,21H,1-3H3,(H,22,23)