1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=S)NC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=S)NC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5OS/c1-2-17-32-24-15-13-20(14-16-24)25-21(19-31(30-25)23-11-7-4-8-12-23)18-27-29-26(33)28-22-9-5-3-6-10-22/h4,7-8,11-16,18-19,22H,2-3,5-6,9-10,17H2,1H3,(H2,28,29,33)/b27-18+