3-([1,3]dioxolo[4,5-e]indol-6-yl)propyl carbamimidothioate

Systemtic Name: 3-([1,3]dioxolo[4,5-e]indol-6-yl)propyl carbamimidothioate Openeye Name: 2-[3-([1,3]dioxolo[4,5-e]indol-6-yl)propyl]isothiourea CAS Name: carbamimidothioic acid 3-([1,3]dioxolo[4,5-e]indol-6-yl)propyl ester IUPAC Name: 3-([1,3]dioxolo[4,5-e]indol-6-yl)propyl carbamimidothioate Traditional Name: 2-[3-([1,3]dioxol[4,5-e]indol-6-yl)propyl]isothiourea Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C3=C(C=C2)N(C=C3)CCCSC(=N)N

Isomeric SMILES

C1OC2=C(O1)C3=C(C=C2)N(C=C3)CCCSC(=N)N

InChI

InChI=1S/C13H15N3O2S/c14-13(15)19-7-1-5-16-6-4-9-10(16)2-3-11-12(9)18-8-17-11/h2-4,6H,1,5,7-8H2,(H3,14,15)