1-butyl-3-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonylpiperidin-4-yl]urea

Systemtic Name: 1-butyl-3-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonylpiperidin-4-yl]urea Openeye Name: 1-butyl-3-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-4-piperidyl]urea CAS Name: 1-butyl-3-[1-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-4-piperidinyl]urea IUPAC Name: 1-butyl-3-[1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]piperidin-4-yl]urea Traditional Name: 1-[1-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-4-piperidyl]-3-butyl-urea Formula: C28H37N7O2 MolecularWeight: 503.63908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCCCNC(=O)NC1CCN(CC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C28H37N7O2/c1-3-4-15-31-28(37)32-22-13-16-35(17-14-22)27(36)21-10-11-24-23(18-21)33-25(34(24)2)12-7-19-5-8-20(9-6-19)26(29)30/h5-6,8-11,18,22H,3-4,7,12-17H2,1-2H3,(H3,29,30)(H2,31,32,37)