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

Systemtic Name: N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide Openeye Name: N-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-benzamide CAS Name: N-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-methylbenzamide IUPAC Name: N-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methylbenzamide Traditional Name: N-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-methyl-benzamide Formula: C23H18BrN3O2S2 MolecularWeight: 512.44192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN3O2S2/c1-14-3-2-4-15(11-14)22(29)26-18-9-10-19-20(12-18)31-23(27-19)30-13-21(28)25-17-7-5-16(24)6-8-17/h2-12H,13H2,1H3,(H,25,28)(H,26,29)