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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-homoveratryl-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CN3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)CN3CCCCC3)OC

InChI

InChI=1S/C23H31N3O2S/c1-27-21-11-8-18(16-22(21)28-2)12-13-24-23(29)25-20-9-6-19(7-10-20)17-26-14-4-3-5-15-26/h6-11,16H,3-5,12-15,17H2,1-2H3,(H2,24,25,29)