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

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S2/c1-3-4-9-17-13-14-19-20(16-17)28-22(24(19)2)23-21(25)12-8-15-29(26,27)18-10-6-5-7-11-18/h5-7,10-11,13-14,16H,3-4,8-9,12,15H2,1-2H3