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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)thio]propionamide Formula: C21H20N2O4S3 MolecularWeight: 460.5895

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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)C)CC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S3/c1-4-12-23-18-10-9-17(30(3,25)26)14-19(18)29-21(23)22-20(24)11-13-28-16-7-5-15(27-2)6-8-16/h1,5-10,14H,11-13H2,2-3H3