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

Systemtic Name: 1-butylsulfanyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]urea Openeye Name: 1-butylsulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea CAS Name: 1-(butylthio)-3-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-butylsulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea Traditional Name: 1-(butylthio)-3-[3-(1-methylisonipecotoyl)phenyl]urea Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSNC(=O)NC1=CC=CC(=C1)C(=O)C2CCN(CC2)C

Isomeric SMILES

CCCCSNC(=O)NC1=CC=CC(=C1)C(=O)C2CCN(CC2)C

InChI

InChI=1S/C18H27N3O2S/c1-3-4-12-24-20-18(23)19-16-7-5-6-15(13-16)17(22)14-8-10-21(2)11-9-14/h5-7,13-14H,3-4,8-12H2,1-2H3,(H2,19,20,23)