methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N4O3S3 MolecularWeight: 438.58728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)CCCC3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC3=C(S2)CCCC3)C(=O)N(C)C

InChI

InChI=1S/C18H22N4O3S3/c1-9-12(16(24)25-4)14(28-13(9)15(23)22(2)3)20-17(26)21-18-19-10-7-5-6-8-11(10)27-18/h5-8H2,1-4H3,(H2,19,20,21,26)