N-butyl-3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-butyl-3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Openeye Name: N-butyl-3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide CAS Name: N-butyl-3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide IUPAC Name: N-butyl-3-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide Traditional Name: N-butyl-3-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]benzamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)CSC2=NC3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C20H22N2O2S/c1-3-4-10-21-19(23)16-7-5-6-15(12-16)13-25-20-22-17-11-14(2)8-9-18(17)24-20/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,21,23)