N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-[6-(methylthio)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-methylsulfanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-[6-(methylthio)-3-propargyl-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H20N2O3S3 MolecularWeight: 444.5901

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)CC#C

InChI

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