3-oxidanylpropyl N-[bis(azanyl)methylidene]carbamimidothioate

Systemtic Name: 3-oxidanylpropyl N-[bis(azanyl)methylidene]carbamimidothioate Openeye Name: 1-(diaminomethylene)-2-(3-hydroxypropyl)isothiourea CAS Name: N-(diaminomethylidene)carbamimidothioic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl N-(diaminomethylidene)carbamimidothioate Traditional Name: 1-(diaminomethylene)-2-(3-hydroxypropyl)isothiourea Formula: C5H12N4OS MolecularWeight: 176.23998

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)CSC(=N)N=C(N)N

Isomeric SMILES

C(CO)CSC(=N)N=C(N)N

InChI

InChI=1S/C5H12N4OS/c6-4(7)9-5(8)11-3-1-2-10/h10H,1-3H2,(H5,6,7,8,9)