S-[3-[bis(azanyl)methylideneamino]propyl] 4-methoxybenzenecarbothioate; nitric acid

Systemtic Name: S-[3-[bis(azanyl)methylideneamino]propyl] 4-methoxybenzenecarbothioate; nitric acid Openeye Name: S-(3-guanidinopropyl) 4-methoxybenzenecarbothioate; nitric acid CAS Name: 4-methoxybenzenecarbothioic acid S-[3-(diaminomethylideneamino)propyl] ester; nitric acid IUPAC Name: S-[3-(diaminomethylideneamino)propyl] 4-methoxybenzenecarbothioate; nitric acid Traditional Name: 4-methoxythiobenzoic acid S-(3-guanidinopropyl) ester; nitric acid Formula: C12H18N4O5S MolecularWeight: 330.36012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SCCCN=C(N)N.[N+](=O)(O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SCCCN=C(N)N.[N+](=O)(O)[O-]

InChI

InChI=1S/C12H17N3O2S.HNO3/c1-17-10-5-3-9(4-6-10)11(16)18-8-2-7-15-12(13)14;2-1(3)4/h3-6H,2,7-8H2,1H3,(H4,13,14,15);(H,2,3,4)