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

Systemtic Name: 4-methyl-N-[2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-methyl-N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-methyl-N-[2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-methyl-N-[2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[[2-keto-2-(phenethylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-4-methyl-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S2/c1-17-7-9-19(10-8-17)24(30)27-20-11-12-21-22(15-20)32-25(28-21)31-16-23(29)26-14-13-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,30)