2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-(isobutyrylamino)ethyl]benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H23N3O3S/c1-14(2)19(25)22-11-12-23-20(26)16-8-4-3-7-15(16)13-28-21-24-17-9-5-6-10-18(17)27-21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,26)