N-[3-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-thiomorpholin-4-yl-ethanamide

Systemtic Name: N-[3-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-2-thiomorpholin-4-yl-ethanamide Openeye Name: N-[3-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-2-thiomorpholino-acetamide CAS Name: N-[3-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-2-thiomorpholin-4-ylacetamide IUPAC Name: N-[3-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-2-thiomorpholin-4-ylacetamide Traditional Name: N-[3-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-2-thiomorpholino-acetamide Formula: C21H24ClN5O2S2 MolecularWeight: 478.03056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2Cl)NC(=O)CN3CCSCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2Cl)NC(=O)CN3CCSCC3

InChI

InChI=1S/C21H24ClN5O2S2/c1-14(28)23-15-5-7-16(8-6-15)24-21(30)26-18-4-2-3-17(20(18)22)25-19(29)13-27-9-11-31-12-10-27/h2-8H,9-13H2,1H3,(H,23,28)(H,25,29)(H2,24,26,30)