1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-isopropyl-thiourea CAS Name: 1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-[(E)-[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-isopropyl-thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=S)N/N=C/C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H25N5O2S/c1-15(2)24-22(30)25-23-13-17-14-27(18-8-6-5-7-9-18)26-21(17)16-10-11-19(28-3)20(12-16)29-4/h5-15H,1-4H3,(H2,24,25,30)/b23-13+