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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H24N4O3S3 MolecularWeight: 524.67806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C(=C(S4)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C(=C(S4)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C25H24N4O3S3/c1-13-6-11-17-18(12-13)34-21(27-17)15-7-9-16(10-8-15)26-25(33)28-22-19(24(31)32-5)14(2)20(35-22)23(30)29(3)4/h6-12H,1-5H3,(H2,26,28,33)