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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-[(4-methoxyphenyl)thio]-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C20H19N3O4S3 MolecularWeight: 461.57756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S3/c1-3-11-23-17-9-8-16(30(21,25)26)13-18(17)29-20(23)22-19(24)10-12-28-15-6-4-14(27-2)5-7-15/h1,4-9,13H,10-12H2,2H3,(H2,21,25,26)