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

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(2S)-2-(4-methoxyphenyl)-2-piperidino-ethyl]thiourea Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC[C@H](C2=CC=C(C=C2)OC)N3CCCCC3)C

InChI

InChI=1S/C23H31N3OS/c1-17-13-18(2)15-20(14-17)25-23(28)24-16-22(26-11-5-4-6-12-26)19-7-9-21(27-3)10-8-19/h7-10,13-15,22H,4-6,11-12,16H2,1-3H3,(H2,24,25,28)/t22-/m1/s1