2-methyl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 2-methyl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 2-methyl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 2-methyl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 2-methyl-3-nitro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 2-methyl-3-nitro-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C18H14N4O5S2 MolecularWeight: 430.45756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C18H14N4O5S2/c1-3-9-21-15-8-7-12(29(19,26)27)10-16(15)28-18(21)20-17(23)13-5-4-6-14(11(13)2)22(24)25/h1,4-8,10H,9H2,2H3,(H2,19,26,27)