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

Systemtic Name: 3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidyl)-3-sec-butyl-thiourea CAS Name: 3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 1-homoveratryl-1-(1-methyl-4-piperidyl)-3-sec-butyl-thiourea Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=S)N(CCC1=CC(=C(C=C1)OC)OC)C2CCN(CC2)C

Isomeric SMILES

CCC(C)NC(=S)N(CCC1=CC(=C(C=C1)OC)OC)C2CCN(CC2)C

InChI

InChI=1S/C21H35N3O2S/c1-6-16(2)22-21(27)24(18-10-12-23(3)13-11-18)14-9-17-7-8-19(25-4)20(15-17)26-5/h7-8,15-16,18H,6,9-14H2,1-5H3,(H,22,27)