1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea

Systemtic Name: 1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea Openeye Name: 1-[[1-(2-thienylmethyl)-4-piperidyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea CAS Name: 1-[[1-(thiophen-2-ylmethyl)-4-piperidinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea IUPAC Name: 1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea Traditional Name: 1-[[1-(2-thenyl)-4-piperidyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NCC2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3O4S/c1-26-18-11-16(12-19(27-2)20(18)28-3)23-21(25)22-13-15-6-8-24(9-7-15)14-17-5-4-10-29-17/h4-5,10-12,15H,6-9,13-14H2,1-3H3,(H2,22,23,25)