4-bromanyl-N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-bromo-benzamide CAS Name: 4-bromo-N-[2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-bromobenzamide Traditional Name: N-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-bromo-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O2S2/c24-17-8-6-16(7-9-17)22(29)26-18-10-11-19-20(12-18)31-23(27-19)30-14-21(28)25-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,25,28)(H,26,29)