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

Systemtic Name: propan-2-yl 2-(phenylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-(benzoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(benzoylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S2/c1-11(2)25-17(24)13-8-9-14-15(10-13)27-19(20-14)22-18(26)21-16(23)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,20,21,22,23,26)