N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-methoxy-5-nitro-benzamide Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCNC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N4O4S/c1-25-14-7-6-11(21(23)24)10-12(14)16(22)18-8-9-19-17-20-13-4-2-3-5-15(13)26-17/h2-7,10H,8-9H2,1H3,(H,18,22)(H,19,20)