1-(2,6-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea Openeye Name: 1-(2,6-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]thiourea CAS Name: 1-(2,6-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiourea Traditional Name: 1-(2,6-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidino-ethyl]thiourea Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

InChI

InChI=1S/C23H31N3OS/c1-17-8-7-9-18(2)22(17)25-23(28)24-16-21(26-14-5-4-6-15-26)19-10-12-20(27-3)13-11-19/h7-13,21H,4-6,14-16H2,1-3H3,(H2,24,25,28)