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

Systemtic Name: 1-(3-bromophenyl)sulfanyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]urea Openeye Name: 1-(3-bromophenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea CAS Name: 1-[(3-bromophenyl)thio]-3-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-(3-bromophenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea Traditional Name: 1-[(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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