1-[[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-4-phenyl-butanoyl]amino]thiourea

Systemtic Name: 1-[[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-4-phenyl-butanoyl]amino]thiourea Openeye Name: [[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylene]-4-oxo-4-phenyl-butanoyl]amino]thiourea CAS Name: [[(2E)-2-[(1,3-diphenyl-4-pyrazolyl)methylidene]-1,4-dioxo-4-phenylbutyl]amino]thiourea IUPAC Name: [[(2E)-2-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-4-phenylbutanoyl]amino]thiourea Traditional Name: [[(E)-3-(1,3-diphenylpyrazol-4-yl)-2-phenacyl-acryloyl]amino]thiourea Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(CC(=O)C3=CC=CC=C3)C(=O)NNC(=S)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\CC(=O)C3=CC=CC=C3)/C(=O)NNC(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C27H23N5O2S/c28-27(35)30-29-26(34)21(17-24(33)19-10-4-1-5-11-19)16-22-18-32(23-14-8-3-9-15-23)31-25(22)20-12-6-2-7-13-20/h1-16,18H,17H2,(H,29,34)(H3,28,30,35)/b21-16+