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

Systemtic Name: 4-propan-2-ylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-isopropylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(propan-2-ylthio)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-propan-2-ylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(isopropylthio)-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H19N3O3S3/c1-4-11-23-17-10-9-16(29(21,25)26)12-18(17)28-20(23)22-19(24)14-5-7-15(8-6-14)27-13(2)3/h1,5-10,12-13H,11H2,2-3H3,(H2,21,25,26)