methyl N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: methyl N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-[1-[4-(4-methoxyphenoxy)butyl]-4-piperidyl]-1,2-dimethyl-3-phenyl-isothiourea CAS Name: N-[1-[4-(4-methoxyphenoxy)butyl]-4-piperidinyl]-N-methyl-N'-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[1-[4-(4-methoxyphenoxy)butyl]piperidin-4-yl]-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-[1-[4-(4-methoxyphenoxy)butyl]-4-piperidyl]-1,2-dimethyl-3-phenyl-isothiourea Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)OC)C(=NC3=CC=CC=C3)SC

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)OC)C(=NC3=CC=CC=C3)SC

InChI

InChI=1S/C25H35N3O2S/c1-27(25(31-3)26-21-9-5-4-6-10-21)22-15-18-28(19-16-22)17-7-8-20-30-24-13-11-23(29-2)12-14-24/h4-6,9-14,22H,7-8,15-20H2,1-3H3