N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide Openeye Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)CC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C27H25N3O4S2/c1-4-17-30-24-16-13-22(34-5-2)18-25(24)35-27(30)28-26(31)21-11-14-23(15-12-21)36(32,33)29(3)19-20-9-7-6-8-10-20/h1,6-16,18H,5,17,19H2,2-3H3