N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide

Systemtic Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide Openeye Name: 4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[benzyl(ethyl)sulfamoyl]-N-(5,6-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C28H27N3O3S2 MolecularWeight: 517.66228

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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)C)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)C)C)CC#C

InChI

InChI=1S/C28H27N3O3S2/c1-5-16-31-25-17-20(3)21(4)18-26(25)35-28(31)29-27(32)23-12-14-24(15-13-23)36(33,34)30(6-2)19-22-10-8-7-9-11-22/h1,7-15,17-18H,6,16,19H2,2-4H3