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

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

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

Isomeric SMILES

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

InChI

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