1-(2-chlorophenyl)-3-[2-[1-(4-methylsulfanylbutan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea

Systemtic Name: 1-(2-chlorophenyl)-3-[2-[1-(4-methylsulfanylbutan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea Openeye Name: 1-(2-chlorophenyl)-3-[2-[1-(1-methyl-3-methylsulfanyl-propyl)-4-piperidyl]pyrazol-3-yl]urea CAS Name: 1-(2-chlorophenyl)-3-[2-[1-[4-(methylthio)butan-2-yl]-4-piperidinyl]-3-pyrazolyl]urea IUPAC Name: 1-(2-chlorophenyl)-3-[2-[1-(4-methylsulfanylbutan-2-yl)piperidin-4-yl]pyrazol-3-yl]urea Traditional Name: 1-(2-chlorophenyl)-3-[2-[1-[1-methyl-3-(methylthio)propyl]-4-piperidyl]pyrazol-3-yl]urea Formula: C20H28ClN5OS MolecularWeight: 421.98722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(CCSC)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H28ClN5OS/c1-15(10-14-28-2)25-12-8-16(9-13-25)26-19(7-11-22-26)24-20(27)23-18-6-4-3-5-17(18)21/h3-7,11,15-16H,8-10,12-14H2,1-2H3,(H2,23,24,27)