1-carbamimidoyl-1-[6-[carbamimidoyl(3-phenylsulfanylpropylcarbamoyl)amino]hexyl]-3-(3-phenylsulfanylpropyl)urea

Systemtic Name: 1-carbamimidoyl-1-[6-[carbamimidoyl(3-phenylsulfanylpropylcarbamoyl)amino]hexyl]-3-(3-phenylsulfanylpropyl)urea Openeye Name: 1-carbamimidoyl-1-[6-[carbamimidoyl(3-phenylsulfanylpropylcarbamoyl)amino]hexyl]-3-(3-phenylsulfanylpropyl)urea CAS Name: 1-carbamimidoyl-1-[6-[carbamimidoyl-[oxo-[3-(phenylthio)propylamino]methyl]amino]hexyl]-3-[3-(phenylthio)propyl]urea IUPAC Name: 1-carbamimidoyl-1-[6-[carbamimidoyl(3-phenylsulfanylpropylcarbamoyl)amino]hexyl]-3-(3-phenylsulfanylpropyl)urea Traditional Name: 1-amidino-1-[6-[amidino-[3-(phenylthio)propylcarbamoyl]amino]hexyl]-3-[3-(phenylthio)propyl]urea Formula: C28H42N8O2S2 MolecularWeight: 586.81548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)N(CCCCCCN(C(=N)N)C(=O)NCCCSC2=CC=CC=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)N(CCCCCCN(C(=N)N)C(=O)NCCCSC2=CC=CC=C2)C(=N)N

InChI

InChI=1S/C28H42N8O2S2/c29-25(30)35(27(37)33-17-11-21-39-23-13-5-3-6-14-23)19-9-1-2-10-20-36(26(31)32)28(38)34-18-12-22-40-24-15-7-4-8-16-24/h3-8,13-16H,1-2,9-12,17-22H2,(H3,29,30)(H3,31,32)(H,33,37)(H,34,38)