5-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]pentyl carbamimidothioate

Systemtic Name: 5-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]pentyl carbamimidothioate Openeye Name: 2-[5-[[amino-(3,3-diphenylpropylamino)methylene]amino]pentyl]isothiourea CAS Name: carbamimidothioic acid 5-[[amino-(3,3-diphenylpropylamino)methylidene]amino]pentyl ester IUPAC Name: 5-[[amino-(3,3-diphenylpropylamino)methylidene]amino]pentyl carbamimidothioate Traditional Name: 2-[5-[[amino-(3,3-diphenylpropylamino)methylene]amino]pentyl]isothiourea Formula: C22H31N5S MolecularWeight: 397.58004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=NCCCCCSC(=N)N)N)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=NCCCCCSC(=N)N)N)C2=CC=CC=C2

InChI

InChI=1S/C22H31N5S/c23-21(24)28-17-9-3-8-15-26-22(25)27-16-14-20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H3,23,24)(H3,25,26,27)