3-methoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide CAS Name: 3-methoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide Traditional Name: 3-methoxy-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-2-naphthamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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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)S(=O)(=O)N)CC#C

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

InChI

InChI=1S/C22H17N3O4S2/c1-3-10-25-18-9-8-16(31(23,27)28)13-20(18)30-22(25)24-21(26)17-11-14-6-4-5-7-15(14)12-19(17)29-2/h1,4-9,11-13H,10H2,2H3,(H2,23,27,28)