1-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[2-cyano-2-(p-tolylsulfonyl)vinyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(2-cyano-2-tosyl-vinyl)-3-homoveratryl-thiourea Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CNC(=S)NCCC2=CC(=C(C=C2)OC)OC)C#N

InChI

InChI=1S/C21H23N3O4S2/c1-15-4-7-17(8-5-15)30(25,26)18(13-22)14-24-21(29)23-11-10-16-6-9-19(27-2)20(12-16)28-3/h4-9,12,14H,10-11H2,1-3H3,(H2,23,24,29)