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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-homoveratryl-3-(4-piperidinosulfonylphenyl)thiourea Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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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)N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C22H29N3O4S2/c1-28-20-11-6-17(16-21(20)29-2)12-13-23-22(30)24-18-7-9-19(10-8-18)31(26,27)25-14-4-3-5-15-25/h6-11,16H,3-5,12-15H2,1-2H3,(H2,23,24,30)