ethyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3C)C

InChI

InChI=1S/C21H21N3O3S3/c1-4-27-20(26)15-10-17(14-8-6-5-7-9-14)30-19(15)22-21(28)24-23-18(25)16-11-29-13(3)12(16)2/h5-11H,4H2,1-3H3,(H,23,25)(H2,22,24,28)