3-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]-2-naphthamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCSC

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CCSC

InChI

InChI=1S/C22H19N3O4S2/c1-29-19-12-15-6-4-3-5-14(15)11-17(19)21(26)23-22-24(9-10-30-2)18-8-7-16(25(27)28)13-20(18)31-22/h3-8,11-13H,9-10H2,1-2H3