methyl 2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3,4-dimethylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,4-dimethylbenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C19H17N3O3S2/c1-10-4-5-12(8-11(10)2)16(23)21-18(26)22-19-20-14-7-6-13(17(24)25-3)9-15(14)27-19/h4-9H,1-3H3,(H2,20,21,22,23,26)