2-(4-propan-2-ylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-propan-2-ylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[4-(propan-2-ylthio)phenyl]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C21H21N3O3S3/c1-4-11-24-18-10-9-17(30(22,26)27)13-19(18)29-21(24)23-20(25)12-15-5-7-16(8-6-15)28-14(2)3/h1,5-10,13-14H,11-12H2,2-3H3,(H2,22,26,27)