3-(1,3-benzothiazol-2-yl)-2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-phenylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-(isobutyrylamino)ethyl]-2-methyl-2-phenyl-propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C(C)(CC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C(C)(CC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-16(2)21(27)24-13-14-25-22(28)23(3,17-9-5-4-6-10-17)15-20-26-18-11-7-8-12-19(18)29-20/h4-12,16H,13-15H2,1-3H3,(H,24,27)(H,25,28)