methyl 2-[[methyl(phenyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[methyl(phenyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[methyl(phenyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(N-methylanilino)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[methyl(phenyl)carbamothioyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[methyl(phenyl)thiocarbamoyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H15N3O2S2 MolecularWeight: 357.4499

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1)C(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H15N3O2S2/c1-20(12-6-4-3-5-7-12)17(23)19-16-18-13-9-8-11(15(21)22-2)10-14(13)24-16/h3-10H,1-2H3,(H,18,19,23)