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

Systemtic Name: ethyl 4-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-chlorobenzothiophene-2-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClN3O3S2/c1-2-26-18(25)11-7-9-12(10-8-11)21-19(27)23-22-17(24)16-15(20)13-5-3-4-6-14(13)28-16/h3-10H,2H2,1H3,(H,22,24)(H2,21,23,27)