2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenyl-butanediamide

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenyl-butanediamide Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenyl-butanediamide CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thio]-N,N'-diphenylbutanediamide IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenylbutanediamide Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thio]-N,N'-diphenyl-succinamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)SC(CC(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)SC(CC(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S2/c1-16-13-20-21(14-17(16)2)31-25(28-20)32-22(24(30)27-19-11-7-4-8-12-19)15-23(29)26-18-9-5-3-6-10-18/h3-14,22H,15H2,1-2H3,(H,26,29)(H,27,30)