N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-piperidin-1-yl-ethanamide

Systemtic Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-piperidin-1-yl-ethanamide Openeye Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-2-(1-piperidyl)acetamide CAS Name: N-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-(1-piperidinyl)acetamide IUPAC Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-2-piperidin-1-ylacetamide Traditional Name: N-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-2-piperidino-acetamide Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)CN3CCCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)CN3CCCCC3)Cl

InChI

InChI=1S/C22H26ClN5O2S/c1-15(29)24-16-5-7-17(8-6-16)25-22(31)26-18-9-10-20(19(23)13-18)27-21(30)14-28-11-3-2-4-12-28/h5-10,13H,2-4,11-12,14H2,1H3,(H,24,29)(H,27,30)(H2,25,26,31)