methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(2-phenyl-2-phenylsulfanyl-acetyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[1-oxo-2-phenyl-2-(phenylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[(2-phenyl-2-phenylsulfanylacetyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[[2-phenyl-2-(phenylthio)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H30N4O4S3 MolecularWeight: 570.7465

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C27H30N4O4S3/c1-5-31(6-2)25(33)21-17(3)20(26(34)35-4)24(38-21)28-27(36)30-29-23(32)22(18-13-9-7-10-14-18)37-19-15-11-8-12-16-19/h7-16,22H,5-6H2,1-4H3,(H,29,32)(H2,28,30,36)