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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[benzyl(ethyl)sulfamoyl]benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[benzyl(ethyl)sulfamoyl]benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[benzyl(ethyl)sulfamoyl]benzamide Formula: C28H26N4O4S2 MolecularWeight: 546.66044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C

InChI

InChI=1S/C28H26N4O4S2/c1-4-17-32-25-16-13-23(29-20(3)33)18-26(25)37-28(32)30-27(34)22-11-14-24(15-12-22)38(35,36)31(5-2)19-21-9-7-6-8-10-21/h1,6-16,18H,5,17,19H2,2-3H3,(H,29,33)