N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenyl]-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenyl]-2-pyrrolidin-1-yl-ethanamide Openeye Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-phenyl]-2-pyrrolidin-1-yl-acetamide CAS Name: N-[4-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2-chlorophenyl]-2-(1-pyrrolidinyl)acetamide IUPAC Name: N-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chlorophenyl]-2-pyrrolidin-1-ylacetamide Traditional Name: N-[4-[[(4-acetamidophenyl)thio]carbamoylamino]-2-chloro-phenyl]-2-pyrrolidino-acetamide Formula: C21H24ClN5O3S MolecularWeight: 461.96496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2)NC(=O)CN3CCCC3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2)NC(=O)CN3CCCC3)Cl

InChI

InChI=1S/C21H24ClN5O3S/c1-14(28)23-15-4-7-17(8-5-15)31-26-21(30)24-16-6-9-19(18(22)12-16)25-20(29)13-27-10-2-3-11-27/h4-9,12H,2-3,10-11,13H2,1H3,(H,23,28)(H,25,29)(H2,24,26,30)