3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-[(2-nitrophenyl)methyl]-2-phenyl-propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-[(2-nitrophenyl)methyl]-2-phenyl-propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-[(2-nitrophenyl)methyl]-2-phenyl-propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-[(2-nitrophenyl)methyl]-2-phenylpropanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-[(2-nitrophenyl)methyl]-2-phenylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N,2-dimethyl-N-(2-nitrobenzyl)-2-phenyl-propionamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O3S/c1-25(19-11-4-3-5-12-19,16-23-26-20-13-7-9-15-22(20)32-23)24(29)27(2)17-18-10-6-8-14-21(18)28(30)31/h3-15H,16-17H2,1-2H3