ethyl 2-[[(5-ethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5-ethylthiophen-3-yl)carbonylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(5-ethylthiophene-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(5-ethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(5-ethylthiophene-3-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[(5-ethylthiophene-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:

CCC1=CC(=CS1)C(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=CS1)C(=O)NNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

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