propan-2-yl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C19H15BrClN3O3S2 MolecularWeight: 512.8277

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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=C(C=CC(=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrClN3O3S2/c1-9(2)27-17(26)10-3-6-14-15(7-10)29-19(22-14)24-18(28)23-16(25)12-8-11(20)4-5-13(12)21/h3-9H,1-2H3,(H2,22,23,24,25,28)