(1E)-1-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: (1E)-1-[azanyl-(3,5-dimethylpyrazol-1-yl)methylidene]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: (1E)-1-[amino-(3,5-dimethylpyrazol-1-yl)methylene]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: (1E)-1-[amino-(3,5-dimethyl-1-pyrazolyl)methylidene]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: (1E)-1-[amino-(3,5-dimethylpyrazol-1-yl)methylidene]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: (1E)-1-[amino-(3,5-dimethylpyrazol-1-yl)methylene]-3-(4-piperidinosulfonylphenyl)thiourea Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)N)C

Isomeric SMILES

CC1=CC(=NN1/C(=N/C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)/N)C

InChI

InChI=1S/C18H24N6O2S2/c1-13-12-14(2)24(22-13)17(19)21-18(27)20-15-6-8-16(9-7-15)28(25,26)23-10-4-3-5-11-23/h6-9,12H,3-5,10-11H2,1-2H3,(H3,19,20,21,27)