methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate

Systemtic Name: methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate Openeye Name: 1-cyano-3-[4-(diethylamino)phenyl]-2-methyl-isothiourea CAS Name: N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-[4-(diethylamino)phenyl]carbamimidothioate Traditional Name: 1-cyano-3-[4-(diethylamino)phenyl]-2-methyl-isothiourea Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=C(NC#N)SC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=C(NC#N)SC

InChI

InChI=1S/C13H18N4S/c1-4-17(5-2)12-8-6-11(7-9-12)16-13(18-3)15-10-14/h6-9H,4-5H2,1-3H3,(H,15,16)