1-butyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]thiourea

Systemtic Name: 1-butyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]thiourea Openeye Name: 1-butyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea CAS Name: 1-butyl-3-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]thiourea Traditional Name: 1-butyl-3-[3-(1-methylisonipecotoyl)phenyl]thiourea Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)C2CCN(CC2)C

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC(=C1)C(=O)C2CCN(CC2)C

InChI

InChI=1S/C18H27N3OS/c1-3-4-10-19-18(23)20-16-7-5-6-15(13-16)17(22)14-8-11-21(2)12-9-14/h5-7,13-14H,3-4,8-12H2,1-2H3,(H2,19,20,23)