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

Systemtic Name: 3-phenylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 3-phenylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-(phenylthio)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-phenylsulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-(phenylthio)-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O3S3/c1-2-11-22-16-9-8-15(28(20,24)25)13-17(16)27-19(22)21-18(23)10-12-26-14-6-4-3-5-7-14/h1,3-9,13H,10-12H2,(H2,20,24,25)