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

Systemtic Name: 3-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]propyl carbamimidothioate Openeye Name: 2-[3-[[amino-(3,3-diphenylpropylamino)methylene]amino]propyl]isothiourea CAS Name: carbamimidothioic acid 3-[[amino-(3,3-diphenylpropylamino)methylidene]amino]propyl ester IUPAC Name: 3-[[amino-(3,3-diphenylpropylamino)methylidene]amino]propyl carbamimidothioate Traditional Name: 2-[3-[[amino-(3,3-diphenylpropylamino)methylene]amino]propyl]isothiourea Formula: C20H27N5S MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5S/c21-19(22)26-15-7-13-24-20(23)25-14-12-18(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H3,21,22)(H3,23,24,25)