N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide

Systemtic Name: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholinomethyl)pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholin-4-ylmethyl)pyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[5-(4-chlorophenyl)-2-methyl-3-(thiomorpholinomethyl)pyrrol-1-yl]isonicotinamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)CN4CCSCC4

Isomeric SMILES

CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)CN4CCSCC4

InChI

InChI=1S/C22H23ClN4OS/c1-16-19(15-26-10-12-29-13-11-26)14-21(17-2-4-20(23)5-3-17)27(16)25-22(28)18-6-8-24-9-7-18/h2-9,14H,10-13,15H2,1H3,(H,25,28)