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

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-[(4-methoxyphenyl)thio]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-[(4-methoxyphenyl)thio]-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C21H21N3O4S3/c1-3-12-24-18-11-10-17(31(22,26)27)14-19(18)30-21(24)23-20(25)5-4-13-29-16-8-6-15(28-2)7-9-16/h1,6-11,14H,4-5,12-13H2,2H3,(H2,22,26,27)