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

Systemtic Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-morpholin-4-yl-ethanamide Openeye Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-2-morpholino-acetamide CAS Name: N-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-(4-morpholinyl)acetamide IUPAC Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-2-morpholin-4-ylacetamide Traditional Name: N-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-2-morpholino-acetamide Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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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)CN3CCOCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)CN3CCOCC3)Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-14(28)23-15-2-4-16(5-3-15)24-21(31)25-17-6-7-19(18(22)12-17)26-20(29)13-27-8-10-30-11-9-27/h2-7,12H,8-11,13H2,1H3,(H,23,28)(H,26,29)(H2,24,25,31)