N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-2-(4-propan-2-ylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxidanyl-propyl]-2-(4-propan-2-ylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxy-propyl]-2-(4-isopropylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-[3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]-2-[(4-propan-2-ylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-propan-2-ylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-[2-hydroxy-3-(4-o-phenetylpiperazino)propyl]-2-(p-cumenylthio)nicotinamide Formula: C30H38N4O3S MolecularWeight: 534.71272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)C(C)C)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(CNC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)C(C)C)O

InChI

InChI=1S/C30H38N4O3S/c1-4-37-28-10-6-5-9-27(28)34-18-16-33(17-19-34)21-24(35)20-32-29(36)26-8-7-15-31-30(26)38-25-13-11-23(12-14-25)22(2)3/h5-15,22,24,35H,4,16-21H2,1-3H3,(H,32,36)