1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methyl-amino]-N-phenyl-cyclohexane-1-carboxamide

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methyl-amino]-N-phenyl-cyclohexane-1-carboxamide Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methyl-amino]-N-phenyl-cyclohexanecarboxamide CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]-methylamino]-N-phenyl-1-cyclohexanecarboxamide IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)propanoyl-methylamino]-N-phenylcyclohexane-1-carboxamide Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)propanoyl-methyl-amino]-N-phenyl-cyclohexanecarboxamide Formula: C24H27N3O2S2 MolecularWeight: 453.62008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C(=O)NC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N(C)C1(CCCCC1)C(=O)NC2=CC=CC=C2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H27N3O2S2/c1-17(30-23-26-19-13-7-8-14-20(19)31-23)21(28)27(2)24(15-9-4-10-16-24)22(29)25-18-11-5-3-6-12-18/h3,5-8,11-14,17H,4,9-10,15-16H2,1-2H3,(H,25,29)