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

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)C)S2)C

InChI

InChI=1S/C23H28N2O3S2/c1-4-5-7-18-11-14-20-21(16-18)29-23(25(20)3)24-22(26)8-6-15-30(27,28)19-12-9-17(2)10-13-19/h9-14,16H,4-8,15H2,1-3H3