methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenylazophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(4-phenyldiazenylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenyldiazenylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenylazophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C23H23N5O3S2/c1-14-18(22(30)31-4)20(33-19(14)21(29)28(2)3)25-23(32)24-15-10-12-17(13-11-15)27-26-16-8-6-5-7-9-16/h5-13H,1-4H3,(H2,24,25,32)