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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1-methyl-thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1-methylthiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylthiourea Traditional Name: 1-homoveratryl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1-methyl-thiourea Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H28N4O3S/c1-16-21(22(28)27(26(16)3)18-9-7-6-8-10-18)24-23(31)25(2)14-13-17-11-12-19(29-4)20(15-17)30-5/h6-12,15H,13-14H2,1-5H3,(H,24,31)