1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-homoveratryl-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=NN(C=C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=NN(C=C2)CC3=CC=CC=C3)OC

InChI

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