ethyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)C)C

InChI

InChI=1S/C19H19N3O2S2/c1-4-24-17(23)13-5-7-14(8-6-13)20-18(25)22-19-21-15-9-11(2)12(3)10-16(15)26-19/h5-10H,4H2,1-3H3,(H2,20,21,22,25)