3-(2-chloranyl-4-methyl-phenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(3-methylbutyl)thiourea

Systemtic Name: 3-(2-chloranyl-4-methyl-phenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(3-methylbutyl)thiourea Openeye Name: 1-(1-acetyl-4-piperidyl)-3-(2-chloro-4-methyl-phenyl)-1-isopentyl-thiourea CAS Name: 1-(1-acetyl-4-piperidinyl)-3-(2-chloro-4-methylphenyl)-1-(3-methylbutyl)thiourea IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-(2-chloro-4-methylphenyl)-1-(3-methylbutyl)thiourea Traditional Name: 1-(1-acetyl-4-piperidyl)-3-(2-chloro-4-methyl-phenyl)-1-isoamyl-thiourea Formula: C20H30ClN3OS MolecularWeight: 395.9897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN3OS/c1-14(2)7-12-24(17-8-10-23(11-9-17)16(4)25)20(26)22-19-6-5-15(3)13-18(19)21/h5-6,13-14,17H,7-12H2,1-4H3,(H,22,26)