1-(4-butoxyphenyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea

Systemtic Name: 1-(4-butoxyphenyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[[1-(2-thienylmethyl)-4-piperidyl]methyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[[1-(thiophen-2-ylmethyl)-4-piperidinyl]methyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[[1-(2-thenyl)-4-piperidyl]methyl]urea Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NCC2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C22H31N3O2S/c1-2-3-14-27-20-8-6-19(7-9-20)24-22(26)23-16-18-10-12-25(13-11-18)17-21-5-4-15-28-21/h4-9,15,18H,2-3,10-14,16-17H2,1H3,(H2,23,24,26)