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

Systemtic Name: N-[2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxy-benzamide Openeye Name: N-[2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxy-benzamide CAS Name: N-[2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-decoxybenzamide IUPAC Name: N-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-decoxybenzamide Traditional Name: N-[2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-decoxy-benzamide Formula: C32H36BrN3O3S2 MolecularWeight: 654.68054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C32H36BrN3O3S2/c1-2-3-4-5-6-7-8-9-20-39-27-17-10-23(11-18-27)31(38)35-26-16-19-28-29(21-26)41-32(36-28)40-22-30(37)34-25-14-12-24(33)13-15-25/h10-19,21H,2-9,20,22H2,1H3,(H,34,37)(H,35,38)