1-(azepan-1-ylmethyl)-3-methyl-1-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)urea

Systemtic Name: 1-(azepan-1-ylmethyl)-3-methyl-1-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)urea Openeye Name: 1-(azepan-1-ylmethyl)-3-methyl-1-(2-thienyl)-3-(1H-1,2,4-triazol-5-yl)urea CAS Name: 1-(1-azepanylmethyl)-3-methyl-1-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)urea IUPAC Name: 1-(azepan-1-ylmethyl)-3-methyl-1-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)urea Traditional Name: 1-(azepan-1-ylmethyl)-3-methyl-1-(2-thienyl)-3-(1H-1,2,4-triazol-5-yl)urea Formula: C15H22N6OS MolecularWeight: 334.43978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=NN1)C(=O)N(CN2CCCCCC2)C3=CC=CS3

Isomeric SMILES

CN(C1=NC=NN1)C(=O)N(CN2CCCCCC2)C3=CC=CS3

InChI

InChI=1S/C15H22N6OS/c1-19(14-16-11-17-18-14)15(22)21(13-7-6-10-23-13)12-20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,16,17,18)