N-aminocarbonyl-2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[4-cyclohexyl-5-[[(3-methoxyphenyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[4-cyclohexyl-5-[(3-methoxyanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[4-cyclohexyl-5-(m-anisidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28N6O3S MolecularWeight: 432.53972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)NC(=O)N)SC1=NN=C(N1C2CCCCC2)CNC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H28N6O3S/c1-13(18(27)23-19(21)28)30-20-25-24-17(26(20)15-8-4-3-5-9-15)12-22-14-7-6-10-16(11-14)29-2/h6-7,10-11,13,15,22H,3-5,8-9,12H2,1-2H3,(H3,21,23,27,28)