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

Systemtic Name: 1-(4-bromophenyl)sulfanyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]urea Openeye Name: 1-(4-bromophenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea CAS Name: 1-[(4-bromophenyl)thio]-3-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-(4-bromophenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea Traditional Name: 1-[(4-bromophenyl)thio]-3-[3-(1-methylisonipecotoyl)phenyl]urea Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=CC=C(C=C3)Br

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2S/c1-24-11-9-14(10-12-24)19(25)15-3-2-4-17(13-15)22-20(26)23-27-18-7-5-16(21)6-8-18/h2-8,13-14H,9-12H2,1H3,(H2,22,23,26)