ethyl 4-[[(3-chloranyl-6-ethyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3-chloranyl-6-ethyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-6-ethyl-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-chloro-6-ethyl-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-chloro-6-ethyl-benzothiophene-2-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=C(S2)C(=O)NNC(=S)NC3=CC=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C21H20ClN3O3S2/c1-3-12-5-10-15-16(11-12)30-18(17(15)22)19(26)24-25-21(29)23-14-8-6-13(7-9-14)20(27)28-4-2/h5-11H,3-4H2,1-2H3,(H,24,26)(H2,23,25,29)