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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-homoveratryl-3-(4-pyrrolidinosulfonylphenyl)thiourea Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC

InChI

InChI=1S/C21H27N3O4S2/c1-27-19-10-5-16(15-20(19)28-2)11-12-22-21(29)23-17-6-8-18(9-7-17)30(25,26)24-13-3-4-14-24/h5-10,15H,3-4,11-14H2,1-2H3,(H2,22,23,29)