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

Systemtic Name: 1-(4-cyanophenyl)sulfanyl-3-[3-(1-methylpiperidin-4-yl)carbonylphenyl]urea Openeye Name: 1-(4-cyanophenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea CAS Name: 1-[(4-cyanophenyl)thio]-3-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-(4-cyanophenyl)sulfanyl-3-[3-(1-methylpiperidine-4-carbonyl)phenyl]urea Traditional Name: 1-[(4-cyanophenyl)thio]-3-[3-(1-methylisonipecotoyl)phenyl]urea Formula: C21H22N4O2S MolecularWeight: 394.48998

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-25-11-9-16(10-12-25)20(26)17-3-2-4-18(13-17)23-21(27)24-28-19-7-5-15(14-22)6-8-19/h2-8,13,16H,9-12H2,1H3,(H2,23,24,27)