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

Systemtic Name: N-[2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Openeye Name: N-[2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: N-[2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-butoxybenzamide IUPAC Name: N-[2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: N-[2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Formula: C26H23BrN2O3S2 MolecularWeight: 555.50642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H23BrN2O3S2/c1-2-3-14-32-21-11-6-18(7-12-21)25(31)28-20-10-13-22-24(15-20)34-26(29-22)33-16-23(30)17-4-8-19(27)9-5-17/h4-13,15H,2-3,14,16H2,1H3,(H,28,31)