N-[4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]phenyl]-3-bromanyl-benzamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]phenyl]-3-bromanyl-benzamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl]phenyl]-3-bromo-benzamide CAS Name: N-[4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]phenyl]-3-bromobenzamide IUPAC Name: N-[4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]phenyl]-3-bromobenzamide Traditional Name: N-[4-[2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl]phenyl]-3-bromo-benzamide Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNC(=O)CC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrN3O2S/c24-17-5-3-4-16(13-17)23(29)26-18-10-8-15(9-11-18)12-21(28)25-14-22-27-19-6-1-2-7-20(19)30-22/h1-11,13H,12,14H2,(H,25,28)(H,26,29)