1-(2,4-dimethylphenyl)-3-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethenylamino]thiourea

Systemtic Name: 1-(2,4-dimethylphenyl)-3-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethenylamino]thiourea Openeye Name: 1-(2,4-dimethylphenyl)-3-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]vinylamino]thiourea CAS Name: 1-(2,4-dimethylphenyl)-3-[1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethenylamino]thiourea IUPAC Name: 1-(2,4-dimethylphenyl)-3-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethenylamino]thiourea Traditional Name: 1-(2,4-dimethylphenyl)-3-[1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]vinylamino]thiourea Formula: C23H25N5OS2 MolecularWeight: 451.6075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NNC(=C)C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NNC(=C)C2=CC(=C(C=C2)OC)CSC3=NC=CC=N3)C

InChI

InChI=1S/C23H25N5OS2/c1-15-6-8-20(16(2)12-15)26-22(30)28-27-17(3)18-7-9-21(29-4)19(13-18)14-31-23-24-10-5-11-25-23/h5-13,27H,3,14H2,1-2,4H3,(H2,26,28,30)