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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[4-[phenyl(propan-2-yl)amino]phenyl]thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[4-(N-isopropylanilino)phenyl]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[4-(N-propan-2-ylanilino)phenyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[4-(N-propan-2-ylanilino)phenyl]thiourea Traditional Name: 1-[4-(N-isopropylanilino)phenyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiourea Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(C4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)N(C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H29N5OS/c1-19(2)31(22-11-7-5-8-12-22)23-17-15-21(16-18-23)28-27(34)29-25-20(3)30(4)32(26(25)33)24-13-9-6-10-14-24/h5-19H,1-4H3,(H2,28,29,34)