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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-furylmethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(2-furanylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-furfuryl)-1-(3-pyridylmethyl)-1-veratryl-thiourea Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC3=CC=CO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCC3=CC=CO3)OC

InChI

InChI=1S/C21H23N3O3S/c1-25-19-8-7-16(11-20(19)26-2)14-24(15-17-5-3-9-22-12-17)21(28)23-13-18-6-4-10-27-18/h3-12H,13-15H2,1-2H3,(H,23,28)