1-(pyridin-3-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(pyridin-3-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(3-pyridylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(3-pyridinylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(pyridin-3-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(3-pyridylmethyl)-3-(3,4,5-trimethoxybenzyl)thiourea Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)NCC2=CN=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C17H21N3O3S/c1-21-14-7-13(8-15(22-2)16(14)23-3)11-20-17(24)19-10-12-5-4-6-18-9-12/h4-9H,10-11H2,1-3H3,(H2,19,20,24)