3-(1,3-benzothiazol-2-yl)-3-cyano-N,N'-bis(4-methylphenyl)pentanediamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N'-bis(4-methylphenyl)pentanediamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N'-bis(p-tolyl)pentanediamide CAS Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N'-bis(4-methylphenyl)pentanediamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N'-bis(4-methylphenyl)pentanediamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-3-cyano-N,N'-bis(p-tolyl)glutaramide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(CC(=O)NC2=CC=C(C=C2)C)(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(CC(=O)NC2=CC=C(C=C2)C)(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H24N4O2S/c1-18-7-11-20(12-8-18)29-24(32)15-27(17-28,26-31-22-5-3-4-6-23(22)34-26)16-25(33)30-21-13-9-19(2)10-14-21/h3-14H,15-16H2,1-2H3,(H,29,32)(H,30,33)