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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[benzyl(methyl)sulfamoyl]benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[methyl-(phenylmethyl)sulfamoyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[benzyl(methyl)sulfamoyl]benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[benzyl(methyl)sulfamoyl]benzamide Formula: C27H24N4O4S2 MolecularWeight: 532.63386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=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

CC(=O)NC1=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/C27H24N4O4S2/c1-4-16-31-24-15-12-22(28-19(2)32)17-25(24)36-27(31)29-26(33)21-10-13-23(14-11-21)37(34,35)30(3)18-20-8-6-5-7-9-20/h1,5-15,17H,16,18H2,2-3H3,(H,28,32)