3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)propanamide

Systemtic Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)propanamide Openeye Name: 3-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)propanamide CAS Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-[(cyclopentylamino)-oxomethyl]propanamide IUPAC Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopentylcarbamoyl)propanamide Traditional Name: 3-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclopentylcarbamoyl)propionamide Formula: C22H31N5O2S2 MolecularWeight: 461.64384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC(=O)NC(=O)NC3CCCC3)CC4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC(=O)NC(=O)NC3CCCC3)CC4=CC=CS4

InChI

InChI=1S/C22H31N5O2S2/c28-20(24-21(29)23-16-7-4-5-8-16)12-14-31-22-26-25-19(15-18-11-6-13-30-18)27(22)17-9-2-1-3-10-17/h6,11,13,16-17H,1-5,7-10,12,14-15H2,(H2,23,24,28,29)