methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[2-(phenylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S3 MolecularWeight: 513.69518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC=C2SC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H27N3O3S3/c1-5-28(6-2)23(29)21-16(3)20(24(30)31-4)22(34-21)27-25(32)26-18-14-10-11-15-19(18)33-17-12-8-7-9-13-17/h7-15H,5-6H2,1-4H3,(H2,26,27,32)