4-(4-chlorophenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-chlorophenyl)thio]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H18ClN3O3S3 MolecularWeight: 480.02322

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S3/c1-2-11-24-17-10-9-16(30(22,26)27)13-18(17)29-20(24)23-19(25)4-3-12-28-15-7-5-14(21)6-8-15/h1,5-10,13H,3-4,11-12H2,(H2,22,26,27)