1-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-octan-3-yl-thiourea

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-[(2-methoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-[(2-methoxyphenyl)methyl]-1-(1-methyl-4-piperidinyl)-3-octan-3-ylthiourea IUPAC Name: 1-[(2-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(1-methyl-4-piperidyl)-1-o-anisyl-thiourea Formula: C23H39N3OS MolecularWeight: 405.64026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CC1=CC=CC=C1OC)C2CCN(CC2)C

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CC1=CC=CC=C1OC)C2CCN(CC2)C

InChI

InChI=1S/C23H39N3OS/c1-5-7-8-12-20(6-2)24-23(28)26(21-14-16-25(3)17-15-21)18-19-11-9-10-13-22(19)27-4/h9-11,13,20-21H,5-8,12,14-18H2,1-4H3,(H,24,28)