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6-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]hexyl carbamimidothioate

6-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]hexyl carbamimidothioate

Systemtic Name:6-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]hexyl carbamimidothioate
Openeye Name:2-[6-[[amino-(3,3-diphenylpropylamino)methylene]amino]hexyl]isothiourea
CAS Name:carbamimidothioic acid 6-[[amino-(3,3-diphenylpropylamino)methylidene]amino]hexyl ester
IUPAC Name:6-[[amino-(3,3-diphenylpropylamino)methylidene]amino]hexyl carbamimidothioate
Traditional Name:2-[6-[[amino-(3,3-diphenylpropylamino)methylene]amino]hexyl]isothiourea
Formula: C23H33N5S
MolecularWeight: 411.60662
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H33N5S/c24-22(25)29-18-10-2-1-9-16-27-23(26)28-17-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,21H,1-2,9-10,15-18H2,(H3,24,25)(H3,26,27,28)


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