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

Systemtic Name: N-[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-benzamide Openeye Name: N-[2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methyl-benzamide CAS Name: N-[2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-4-methylbenzamide IUPAC Name: N-[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-4-methylbenzamide Traditional Name: N-[2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C25H21N3O3S2/c1-15-3-5-18(6-4-15)24(31)27-20-11-12-21-22(13-20)33-25(28-21)32-14-23(30)26-19-9-7-17(8-10-19)16(2)29/h3-13H,14H2,1-2H3,(H,26,30)(H,27,31)