1-[(3,4-dimethoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(4-morpholinosulfonylphenyl)-3-veratryl-thiourea Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)OC

InChI

InChI=1S/C20H25N3O5S2/c1-26-18-8-3-15(13-19(18)27-2)14-21-20(29)22-16-4-6-17(7-5-16)30(24,25)23-9-11-28-12-10-23/h3-8,13H,9-12,14H2,1-2H3,(H2,21,22,29)