1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylphenyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylphenyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethylphenyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(4-ethylphenyl)-1-homoveratryl-1-(1-methyl-4-piperidyl)thiourea Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)C3CCN(CC3)C

InChI

InChI=1S/C25H35N3O2S/c1-5-19-6-9-21(10-7-19)26-25(31)28(22-13-15-27(2)16-14-22)17-12-20-8-11-23(29-3)24(18-20)30-4/h6-11,18,22H,5,12-17H2,1-4H3,(H,26,31)