N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide

Systemtic Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-bromanyl-benzamide Openeye Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-methylsulfanyl-propyl]-2-bromo-benzamide CAS Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-2-bromobenzamide IUPAC Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-bromobenzamide Traditional Name: N-[1-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-3-(methylthio)propyl]-2-bromo-benzamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN3O2S2/c1-25(13-19-23-16-9-5-6-10-18(16)29-19)21(27)17(11-12-28-2)24-20(26)14-7-3-4-8-15(14)22/h3-10,17H,11-13H2,1-2H3,(H,24,26)