N-[6-[2-(2-nitrophenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]propanamide

Systemtic Name: N-[6-[2-(2-nitrophenoxy)ethanoylamino]-1,3-benzothiazol-2-yl]propanamide Openeye Name: N-[6-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]propanamide CAS Name: N-[6-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]propanamide IUPAC Name: N-[6-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[6-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]propionamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-2-16(23)21-18-20-12-8-7-11(9-15(12)28-18)19-17(24)10-27-14-6-4-3-5-13(14)22(25)26/h3-9H,2,10H2,1H3,(H,19,24)(H,20,21,23)