N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]ethanamide

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]ethanamide Openeye Name: 2-(benzylamino)-N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]acetamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-2-[(phenylmethyl)amino]acetamide IUPAC Name: 2-(benzylamino)-N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]acetamide Traditional Name: 2-(benzylamino)-N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]acetamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)CNCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)CNCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-25-15-7-8-16-17(11-15)26-19(22(16)24)9-10-21-18(23)13-20-12-14-5-3-2-4-6-14/h2-8,11,19-20H,9-10,12-13H2,1H3/p+1