ethyl 4-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H14ClN3O2S2 MolecularWeight: 391.89496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C17H14ClN3O2S2/c1-2-23-15(22)10-6-8-11(9-7-10)19-16(24)21-17-20-14-12(18)4-3-5-13(14)25-17/h3-9H,2H2,1H3,(H2,19,20,21,24)