1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-homoveratryl-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)CN3C=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=CC(=C2)CN3C=CC=N3)OC

InChI

InChI=1S/C21H24N4O2S/c1-26-19-8-7-16(14-20(19)27-2)9-11-22-21(28)24-18-6-3-5-17(13-18)15-25-12-4-10-23-25/h3-8,10,12-14H,9,11,15H2,1-2H3,(H2,22,24,28)