N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-homopiperonyl-2-methyl-2-phenyl-propionamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24N2O3S/c1-26(19-7-3-2-4-8-19,16-24-28-20-9-5-6-10-23(20)32-24)25(29)27-14-13-18-11-12-21-22(15-18)31-17-30-21/h2-12,15H,13-14,16-17H2,1H3,(H,27,29)