propan-2-yl 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(naphthalene-1-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(naphthalene-1-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-naphthoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H19N3O3S2/c1-13(2)29-21(28)15-10-11-18-19(12-15)31-23(24-18)26-22(30)25-20(27)17-9-5-7-14-6-3-4-8-16(14)17/h3-13H,1-2H3,(H2,24,25,26,27,30)