1-cyclohexyl-3-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-cyclohexyl-3-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C/C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2S/c33-25(27-20-7-3-1-4-8-20)28-26-16-19-17-30(21-9-5-2-6-10-21)29-24(19)18-11-12-22-23(15-18)32-14-13-31-22/h2,5-6,9-12,15-17,20H,1,3-4,7-8,13-14H2,(H2,27,28,33)/b26-16+