3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 3-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 3-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-pyrrolidinoethyl)benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NCCN4CCCC4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=CC=CC(=C3)C(=O)NCCN4CCCC4

InChI

InChI=1S/C22H25N3O2S/c1-16-6-4-9-19-20(16)24-22(27-19)28-15-17-7-5-8-18(14-17)21(26)23-10-13-25-11-2-3-12-25/h4-9,14H,2-3,10-13,15H2,1H3,(H,23,26)