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

Systemtic Name: 4-butoxy-N-[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: N-[2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-butoxybenzamide IUPAC Name: N-[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: N-[2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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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)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H27N3O4S2/c1-3-4-15-35-23-12-7-20(8-13-23)27(34)30-22-11-14-24-25(16-22)37-28(31-24)36-17-26(33)29-21-9-5-19(6-10-21)18(2)32/h5-14,16H,3-4,15,17H2,1-2H3,(H,29,33)(H,30,34)