N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[3-(2,5-dimethyl-1-pyrrolyl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-3-(2-thioxo-1,3-benzoxazol-3-yl)propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=CC=C2)NC(=O)CCN3C4=CC=CC=C4OC3=S)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=CC=C2)NC(=O)CCN3C4=CC=CC=C4OC3=S)C

InChI

InChI=1S/C22H21N3O2S/c1-15-10-11-16(2)25(15)18-7-5-6-17(14-18)23-21(26)12-13-24-19-8-3-4-9-20(19)27-22(24)28/h3-11,14H,12-13H2,1-2H3,(H,23,26)