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

Systemtic Name: 4-phenylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-phenylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(phenylthio)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-phenylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-(phenylthio)-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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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=CC=C3

Isomeric SMILES

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

InChI

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