1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholinosulfonylphenyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-homoveratryl-3-(3-morpholinosulfonylphenyl)thiourea Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5S2/c1-27-19-7-6-16(14-20(19)28-2)8-9-22-21(30)23-17-4-3-5-18(15-17)31(25,26)24-10-12-29-13-11-24/h3-7,14-15H,8-13H2,1-2H3,(H2,22,23,30)