3-(2,5-dimethylphenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(3-methylbutyl)thiourea

Systemtic Name: 3-(2,5-dimethylphenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(3-methylbutyl)thiourea Openeye Name: 1-(1-acetyl-4-piperidyl)-3-(2,5-dimethylphenyl)-1-isopentyl-thiourea CAS Name: 1-(1-acetyl-4-piperidinyl)-3-(2,5-dimethylphenyl)-1-(3-methylbutyl)thiourea IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-(2,5-dimethylphenyl)-1-(3-methylbutyl)thiourea Traditional Name: 1-(1-acetyl-4-piperidyl)-3-(2,5-dimethylphenyl)-1-isoamyl-thiourea Formula: C21H33N3OS MolecularWeight: 375.57122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N(CCC(C)C)C2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N(CCC(C)C)C2CCN(CC2)C(=O)C

InChI

InChI=1S/C21H33N3OS/c1-15(2)8-13-24(19-9-11-23(12-10-19)18(5)25)21(26)22-20-14-16(3)6-7-17(20)4/h6-7,14-15,19H,8-13H2,1-5H3,(H,22,26)