1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholin-4-ylpentylsulfanyl)phenyl]pyrrole-3-carboxamide

Systemtic Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholin-4-ylpentylsulfanyl)phenyl]pyrrole-3-carboxamide Openeye Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholinopentylsulfanyl)phenyl]pyrrole-3-carboxamide CAS Name: 1-(4-chlorophenyl)-N-[3-cyano-4-[5-(4-morpholinyl)pentylthio]phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholin-4-ylpentylsulfanyl)phenyl]pyrrole-3-carboxamide Traditional Name: 1-(4-chlorophenyl)-N-[3-cyano-4-(5-morpholinopentylthio)phenyl]pyrrole-3-carboxamide Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCCSC2=C(C=C(C=C2)NC(=O)C3=CN(C=C3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1COCCN1CCCCCSC2=C(C=C(C=C2)NC(=O)C3=CN(C=C3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C27H29ClN4O2S/c28-23-4-7-25(8-5-23)32-12-10-21(20-32)27(33)30-24-6-9-26(22(18-24)19-29)35-17-3-1-2-11-31-13-15-34-16-14-31/h4-10,12,18,20H,1-3,11,13-17H2,(H,30,33)