N-[2-(phenylmethylsulfanyl)ethyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[2-(phenylmethylthio)ethyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-6-(3-phenylpiperazino)nicotinamide Formula: C25H28N4OS MolecularWeight: 432.58102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2)C3=NC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS/c30-25(27-14-16-31-19-20-7-3-1-4-8-20)22-11-12-24(28-17-22)29-15-13-26-23(18-29)21-9-5-2-6-10-21/h1-12,17,23,26H,13-16,18-19H2,(H,27,30)