1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiourea Traditional Name: 1-homoveratryl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N4O3S/c1-15-20(21(27)26(25(15)2)17-8-6-5-7-9-17)24-22(30)23-13-12-16-10-11-18(28-3)19(14-16)29-4/h5-11,14H,12-13H2,1-4H3,(H2,23,24,30)