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

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(3-propan-2-yloxypropyl)thiourea Openeye Name: 1-(1-acetyl-4-piperidyl)-3-(4-chloro-3-methyl-phenyl)-1-(3-isopropoxypropyl)thiourea CAS Name: 1-(1-acetyl-4-piperidinyl)-3-(4-chloro-3-methylphenyl)-1-(3-propan-2-yloxypropyl)thiourea IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-(4-chloro-3-methylphenyl)-1-(3-propan-2-yloxypropyl)thiourea Traditional Name: 1-(1-acetyl-4-piperidyl)-3-(4-chloro-3-methyl-phenyl)-1-(3-isopropoxypropyl)thiourea Formula: C21H32ClN3O2S MolecularWeight: 426.01568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3O2S/c1-15(2)27-13-5-10-25(19-8-11-24(12-9-19)17(4)26)21(28)23-18-6-7-20(22)16(3)14-18/h6-7,14-15,19H,5,8-13H2,1-4H3,(H,23,28)