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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanyl-butanamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butanamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-phenylsulfanylbutanamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(phenylthio)butyramide Formula: C21H20N2O3S3 MolecularWeight: 444.5901

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCSC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C21H20N2O3S3/c1-3-13-23-18-12-11-17(29(2,25)26)15-19(18)28-21(23)22-20(24)10-7-14-27-16-8-5-4-6-9-16/h1,4-6,8-9,11-12,15H,7,10,13-14H2,2H3