[2,6-bis(chloranyl)phenyl]methyl 3-azanyl-2-cyano-N-(3-methoxypropyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl 3-azanyl-2-cyano-N-(3-methoxypropyl)-3-oxidanylidene-propanimidothioate Openeye Name: (2,6-dichlorophenyl)methyl 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxo-propanimidothioate CAS Name: 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxopropanimidothioic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl 3-amino-2-cyano-N-(3-methoxypropyl)-3-oxopropanimidothioate Traditional Name: 3-amino-2-cyano-3-keto-N-(3-methoxypropyl)thiopropionimidic acid (2,6-dichlorobenzyl) ester Formula: C15H17Cl2N3O2S MolecularWeight: 374.28538

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN=C(C(C#N)C(=O)N)SCC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

COCCCN=C(C(C#N)C(=O)N)SCC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C15H17Cl2N3O2S/c1-22-7-3-6-20-15(10(8-18)14(19)21)23-9-11-12(16)4-2-5-13(11)17/h2,4-5,10H,3,6-7,9H2,1H3,(H2,19,21)