4-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-(6-methylpyridin-3-yl)butanamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-(6-methylpyridin-3-yl)butanamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-(6-methyl-3-pyridyl)butanamide CAS Name: 4-(1,3-benzoxazol-2-ylthio)-2,4-bis(ethylthio)-N-(6-methyl-3-pyridinyl)butanamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)-2,4-bis(ethylsulfanyl)-N-(6-methylpyridin-3-yl)butanamide Traditional Name: 4-(1,3-benzoxazol-2-ylthio)-2,4-bis(ethylthio)-N-(6-methyl-3-pyridyl)butyramide Formula: C21H25N3O2S3 MolecularWeight: 447.6371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(SCC)SC1=NC2=CC=CC=C2O1)C(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCSC(CC(SCC)SC1=NC2=CC=CC=C2O1)C(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C21H25N3O2S3/c1-4-27-18(20(25)23-15-11-10-14(3)22-13-15)12-19(28-5-2)29-21-24-16-8-6-7-9-17(16)26-21/h6-11,13,18-19H,4-5,12H2,1-3H3,(H,23,25)