methyl (NE)-N-(1-methylpiperidin-2-ylidene)-N'-phenyl-carbamimidothioate

Systemtic Name: methyl (NE)-N-(1-methylpiperidin-2-ylidene)-N'-phenyl-carbamimidothioate Openeye Name: (1E)-2-methyl-1-(1-methyl-2-piperidylidene)-3-phenyl-isothiourea CAS Name: (NE)-N-(1-methyl-2-piperidinylidene)-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl (NE)-N-(1-methylpiperidin-2-ylidene)-N'-phenylcarbamimidothioate Traditional Name: (1E)-2-methyl-1-(1-methyl-2-piperidylidene)-3-phenyl-isothiourea Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1=NC(=NC2=CC=CC=C2)SC

Isomeric SMILES

CN\1CCCC/C1=N\C(=NC2=CC=CC=C2)SC

InChI

InChI=1S/C14H19N3S/c1-17-11-7-6-10-13(17)16-14(18-2)15-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3/b15-14?,16-13+