1-(2-methylphenyl)sulfanyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]urea

Systemtic Name: 1-(2-methylphenyl)sulfanyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]urea Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(o-tolylsulfanyl)urea CAS Name: 1-[(2-methylphenyl)thio]-3-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-(2-methylphenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-3-(o-tolylthio)urea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SNC(=O)NC2=CC=CC(=C2)C(=O)C3CCN(CC3)C

Isomeric SMILES

CC1=CC=CC=C1SNC(=O)NC2=CC=CC(=C2)C(=O)C3CCN(CC3)C

InChI

InChI=1S/C21H25N3O2S/c1-15-6-3-4-9-19(15)27-23-21(26)22-18-8-5-7-17(14-18)20(25)16-10-12-24(2)13-11-16/h3-9,14,16H,10-13H2,1-2H3,(H2,22,23,26)