N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(6-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=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)C

InChI

InChI=1S/C21H24N2O3S2/c1-4-16-9-12-18-19(14-16)27-21(23(18)3)22-20(24)6-5-13-28(25,26)17-10-7-15(2)8-11-17/h7-12,14H,4-6,13H2,1-3H3