methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O3S3 MolecularWeight: 462.60868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C20H22N4O3S3/c1-9-7-12-13(8-10(9)2)29-20(21-12)23-19(28)22-16-14(18(26)27-6)11(3)15(30-16)17(25)24(4)5/h7-8H,1-6H3,(H2,21,22,23,28)