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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C23H21N5O2S2 MolecularWeight: 463.57514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NN=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NN=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H21N5O2S2/c1-29-19-11-10-17(13-20(19)30-2)25-23(31)26-24-14-16-15-28(18-7-4-3-5-8-18)27-22(16)21-9-6-12-32-21/h3-15H,1-2H3,(H2,25,26,31)