1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(o-tolyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(o-tolyl)urea Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=NN=C(S2)N3CCCCCC3

InChI

InChI=1S/C16H21N5OS/c1-12-8-4-5-9-13(12)17-14(22)18-15-19-20-16(23-15)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,17,18,19,22)