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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SNC(=O)NC2=CC=CC(=C2)C(=O)C3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SNC(=O)NC2=CC=CC(=C2)C(=O)C3CCN(CC3)C

InChI

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