butyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H22BrN3O4S2 MolecularWeight: 536.46178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

InChI=1S/C22H22BrN3O4S2/c1-4-5-8-30-20(28)13-6-7-16-17(10-13)32-22(24-16)26-21(31)25-19(27)15-11-14(23)9-12(2)18(15)29-3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,24,25,26,27,31)