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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethylpyrazol-3-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethylpyrazol-3-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethyl-3-pyrazolyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-ethylpyrazol-3-yl)thiourea Traditional Name: 1-(1-ethylpyrazol-3-yl)-3-homoveratryl-thiourea Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCN1C=CC(=N1)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N4O2S/c1-4-20-10-8-15(19-20)18-16(23)17-9-7-12-5-6-13(21-2)14(11-12)22-3/h5-6,8,10-11H,4,7,9H2,1-3H3,(H2,17,18,19,23)