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

Systemtic Name: methyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(4,5-dimethylthiophene-3-carbonyl)amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H19N3O3S3 MolecularWeight: 397.53536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CSC(=C2C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CSC(=C2C)C)C(=O)OC

InChI

InChI=1S/C16H19N3O3S3/c1-5-10-6-11(15(21)22-4)14(25-10)17-16(23)19-18-13(20)12-7-24-9(3)8(12)2/h6-7H,5H2,1-4H3,(H,18,20)(H2,17,19,23)