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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(4-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[2-(4-methoxyphenyl)ethyl]thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-15-19(20(26)25(24(15)2)17-7-5-4-6-8-17)23-21(28)22-14-13-16-9-11-18(27-3)12-10-16/h4-12H,13-14H2,1-3H3,(H2,22,23,28)