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

Systemtic Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-[(E)-[3-(4-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-cyclohexyl-thiourea CAS Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-[(E)-[3-(4-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-cyclohexyl-thiourea Formula: C30H31N5OS MolecularWeight: 509.66504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NN=CC2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=S)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5OS/c37-30(32-26-12-6-2-7-13-26)33-31-20-25-21-35(27-14-8-3-9-15-27)34-29(25)24-16-18-28(19-17-24)36-22-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,26H,2,6-7,12-13,22H2,(H2,32,33,37)/b31-20+