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

Systemtic Name: ethyl 2-[[(4,5-dimethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(4,5-dimethylthiophene-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(4,5-dimethylthiophene-3-carbonyl)amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S3 MolecularWeight: 473.63132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C3=CSC(=C3C)C

InChI

InChI=1S/C22H23N3O3S3/c1-4-28-21(27)17-11-16(10-15-8-6-5-7-9-15)31-20(17)23-22(29)25-24-19(26)18-12-30-14(3)13(18)2/h5-9,11-12H,4,10H2,1-3H3,(H,24,26)(H2,23,25,29)