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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H31N5O2S2 MolecularWeight: 497.67594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C25H31N5O2S2/c1-18(23(31)27-24(32)26-20-11-6-3-7-12-20)34-25-29-28-22(17-21-13-8-16-33-21)30(25)15-14-19-9-4-2-5-10-19/h2,4-5,8-10,13,16,18,20H,3,6-7,11-12,14-15,17H2,1H3,(H2,26,27,31,32)