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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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