2-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-N-phenyl-benzamide

Systemtic Name: 2-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-N-phenyl-benzamide Openeye Name: 2-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-N-phenyl-benzamide CAS Name: 2-[[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropyl]amino]-N-phenylbenzamide IUPAC Name: 2-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-N-phenylbenzamide Traditional Name: 2-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-N-phenyl-benzamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CCC(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H24N4O2S/c1-29(17-24-28-21-13-7-8-14-22(21)32-24)16-15-23(30)27-20-12-6-5-11-19(20)25(31)26-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,26,31)(H,27,30)