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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyrrolidin-1-ylcarbonylphenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[oxo(1-pyrrolidinyl)methyl]phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea Traditional Name: 1-homoveratryl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-27-19-10-5-16(15-20(19)28-2)11-12-23-22(29)24-18-8-6-17(7-9-18)21(26)25-13-3-4-14-25/h5-10,15H,3-4,11-14H2,1-2H3,(H2,23,24,29)