1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiourea Traditional Name: 1-(2,5-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=CC(=C(C=C1)C)NC(=S)NCC(C2=CC=C(C=C2)OC)N3CCCCC3

Isomeric SMILES

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

InChI

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