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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[2-(1H-indol-3-yl)ethyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[2-(1H-indol-3-yl)ethyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[2-(1H-indol-3-yl)ethyl]thiourea Traditional Name: 1-[2-(1H-indol-3-yl)ethyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H23N5OS/c1-15-20(21(28)27(26(15)2)17-8-4-3-5-9-17)25-22(29)23-13-12-16-14-24-19-11-7-6-10-18(16)19/h3-11,14,24H,12-13H2,1-2H3,(H2,23,25,29)