methyl 2-[(2-bromophenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)carbonylcarbamothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-bromobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromobenzoyl)carbamothioylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-bromobenzoyl)thiocarbamoylamino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H12BrN3O3S2 MolecularWeight: 450.32948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H12BrN3O3S2/c1-24-15(23)9-6-7-12-13(8-9)26-17(19-12)21-16(25)20-14(22)10-4-2-3-5-11(10)18/h2-8H,1H3,(H2,19,20,21,22,25)