1-(3-carbamimidoylphenyl)-3-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-1-phenylazanyl-urea

Systemtic Name: 1-(3-carbamimidoylphenyl)-3-[3-methyl-4-(2-oxidanylidenepiperidin-1-yl)phenyl]-1-phenylazanyl-urea Openeye Name: 1-anilino-1-(3-carbamimidoylphenyl)-3-[3-methyl-4-(2-oxo-1-piperidyl)phenyl]urea CAS Name: 1-anilino-1-(3-carbamimidoylphenyl)-3-[3-methyl-4-(2-oxo-1-piperidinyl)phenyl]urea IUPAC Name: 1-anilino-1-(3-carbamimidoylphenyl)-3-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]urea Traditional Name: 1-(3-amidinophenyl)-1-anilino-3-[4-(2-ketopiperidino)-3-methyl-phenyl]urea Formula: C26H28N6O2 MolecularWeight: 456.53952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N(C2=CC=CC(=C2)C(=N)N)NC3=CC=CC=C3)N4CCCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N(C2=CC=CC(=C2)C(=N)N)NC3=CC=CC=C3)N4CCCCC4=O

InChI

InChI=1S/C26H28N6O2/c1-18-16-21(13-14-23(18)31-15-6-5-12-24(31)33)29-26(34)32(30-20-9-3-2-4-10-20)22-11-7-8-19(17-22)25(27)28/h2-4,7-11,13-14,16-17,30H,5-6,12,15H2,1H3,(H3,27,28)(H,29,34)