N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)N2C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)N2C

InChI

InChI=1S/C21H24N2O3S2/c1-4-16-7-5-8-18-20(16)23(3)21(27-18)22-19(24)9-6-14-28(25,26)17-12-10-15(2)11-13-17/h5,7-8,10-13H,4,6,9,14H2,1-3H3