1-(furan-2-ylmethyl)-3-pyridin-3-yl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-pyridin-3-yl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-(3-pyridyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-pyridinyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-pyridin-3-yl-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Traditional Name: 1-(2-furfuryl)-3-(3-pyridyl)-1-(2,3,4-trimethoxybenzyl)thiourea Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CN=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN(CC2=CC=CO2)C(=S)NC3=CN=CC=C3)OC)OC

InChI

InChI=1S/C21H23N3O4S/c1-25-18-9-8-15(19(26-2)20(18)27-3)13-24(14-17-7-5-11-28-17)21(29)23-16-6-4-10-22-12-16/h4-12H,13-14H2,1-3H3,(H,23,29)