1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)thiourea Openeye Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-3-(4-methoxyphenyl)thiourea CAS Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidinyl]methyl]-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)thiourea Traditional Name: 1-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-piperidyl]methyl]-3-(4-methoxyphenyl)thiourea Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NCC2CCN(CC2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NCC2CCN(CC2)CC3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H29N3O3S/c1-27-19-8-6-18(7-9-19)25-23(30)24-14-17-10-12-26(13-11-17)15-20-16-28-21-4-2-3-5-22(21)29-20/h2-9,17,20H,10-16H2,1H3,(H2,24,25,30)