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

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H17ClN4O3S3 MolecularWeight: 469.00058

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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(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S3/c1-8-11(16(25)26-4)14(29-13(8)15(24)23(2)3)21-17(27)22-18-20-12-9(19)6-5-7-10(12)28-18/h5-7H,1-4H3,(H2,20,21,22,27)