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

Systemtic Name: 4-[[azanyl-(3,3-diphenylpropylamino)methylidene]amino]butyl carbamimidothioate Openeye Name: 2-[4-[[amino-(3,3-diphenylpropylamino)methylene]amino]butyl]isothiourea CAS Name: carbamimidothioic acid 4-[[amino-(3,3-diphenylpropylamino)methylidene]amino]butyl ester IUPAC Name: 4-[[amino-(3,3-diphenylpropylamino)methylidene]amino]butyl carbamimidothioate Traditional Name: 2-[4-[[amino-(3,3-diphenylpropylamino)methylene]amino]butyl]isothiourea Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5S/c22-20(23)27-16-8-7-14-25-21(24)26-15-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H3,22,23)(H3,24,25,26)