N-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide

Systemtic Name: N-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Openeye Name: N-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide CAS Name: N-[3-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzamide IUPAC Name: N-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide Traditional Name: N-[3-[2-(1,3-benzoxazol-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H19N3O3S/c1-14-12-17(15(2)25(14)24-21(27)16-8-4-3-5-9-16)19(26)13-29-22-23-18-10-6-7-11-20(18)28-22/h3-12H,13H2,1-2H3,(H,24,27)