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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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