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

Systemtic Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenyl-butanediamide Openeye Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenyl-butanediamide CAS Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)thio]-N,N'-diphenylbutanediamide IUPAC Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-diphenylbutanediamide Traditional Name: 2-[(6-cyclohexyl-1,3-benzothiazol-2-yl)thio]-N,N'-diphenyl-succinamide Formula: C29H29N3O2S2 MolecularWeight: 515.68946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C=C2)N=C(S3)SC(CC(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C=C2)N=C(S3)SC(CC(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S2/c33-27(30-22-12-6-2-7-13-22)19-26(28(34)31-23-14-8-3-9-15-23)36-29-32-24-17-16-21(18-25(24)35-29)20-10-4-1-5-11-20/h2-3,6-9,12-18,20,26H,1,4-5,10-11,19H2,(H,30,33)(H,31,34)