S-(methylamino) 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]piperidine-1-carbothioate

Systemtic Name: S-(methylamino) 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]piperidine-1-carbothioate Openeye Name: S-(methylamino) 4-[[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]methyl]piperidine-1-carbothioate CAS Name: 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]-1-piperidinecarbothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]piperidine-1-carbothioate Traditional Name: 4-[[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]methyl]piperidine-1-carbothioic acid S-(methylamino) ester Formula: C20H33N3O2S MolecularWeight: 379.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCN(CC1)C(=O)SNC)C(C)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC1CCN(CC1)C(=O)SNC)C(C)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H33N3O2S/c1-5-22(16(2)14-17-6-8-19(25-4)9-7-17)15-18-10-12-23(13-11-18)20(24)26-21-3/h6-9,16,18,21H,5,10-15H2,1-4H3