1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-N-cyclopentyl-cyclohexane-1-carboxamide

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-N-cyclopentyl-cyclohexane-1-carboxamide Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-cyclopentyl-cyclohexanecarboxamide CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-N-cyclopentyl-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-N-cyclopentylcyclohexane-1-carboxamide Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-N-cyclopentyl-cyclohexanecarboxamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)NC2CCCC2)NC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)(C(=O)NC2CCCC2)NC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H27N3O2S2/c25-18(14-27-20-23-16-10-4-5-11-17(16)28-20)24-21(12-6-1-7-13-21)19(26)22-15-8-2-3-9-15/h4-5,10-11,15H,1-3,6-9,12-14H2,(H,22,26)(H,24,25)