methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H14ClN3O2S3 MolecularWeight: 411.94926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C

InChI

InChI=1S/C16H14ClN3O2S3/c1-7-8(2)24-13(11(7)14(21)22-3)19-15(23)20-16-18-12-9(17)5-4-6-10(12)25-16/h4-6H,1-3H3,(H2,18,19,20,23)