[5-[(4-methylphenyl)methylcarbamoyl]-1,3-benzothiazol-2-yl] tris(bromanyl)methanesulfinate

Systemtic Name: [5-[(4-methylphenyl)methylcarbamoyl]-1,3-benzothiazol-2-yl] tris(bromanyl)methanesulfinate Openeye Name: [5-(p-tolylmethylcarbamoyl)-1,3-benzothiazol-2-yl] tribromomethanesulfinate CAS Name: tribromomethanesulfinic acid [5-[[(4-methylphenyl)methylamino]-oxomethyl]-1,3-benzothiazol-2-yl] ester IUPAC Name: [5-[(4-methylphenyl)methylcarbamoyl]-1,3-benzothiazol-2-yl] tribromomethanesulfinate Traditional Name: tribromomethanesulfinic acid [5-[(4-methylbenzyl)carbamoyl]-1,3-benzothiazol-2-yl] ester Formula: C17H13Br3N2O3S2 MolecularWeight: 597.13872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(=N3)OS(=O)C(Br)(Br)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(=N3)OS(=O)C(Br)(Br)Br

InChI

InChI=1S/C17H13Br3N2O3S2/c1-10-2-4-11(5-3-10)9-21-15(23)12-6-7-14-13(8-12)22-16(26-14)25-27(24)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)