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

Systemtic Name: 1-[(3-carbamimidoylphenyl)-phenyl-amino]-3-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]urea Openeye Name: 1-(N-(3-carbamimidoylphenyl)anilino)-3-[4-(2-oxo-1-piperidyl)phenyl]urea CAS Name: 1-(N-(3-carbamimidoylphenyl)anilino)-3-[4-(2-oxo-1-piperidinyl)phenyl]urea IUPAC Name: 1-(N-(3-carbamimidoylphenyl)anilino)-3-[4-(2-oxopiperidin-1-yl)phenyl]urea Traditional Name: 1-(N-(3-amidinophenyl)anilino)-3-[4-(2-ketopiperidino)phenyl]urea Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)NC(=O)NN(C3=CC=CC=C3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H26N6O2/c26-24(27)18-7-6-10-22(17-18)31(21-8-2-1-3-9-21)29-25(33)28-19-12-14-20(15-13-19)30-16-5-4-11-23(30)32/h1-3,6-10,12-15,17H,4-5,11,16H2,(H3,26,27)(H2,28,29,33)