N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-N-piperonyl-propionamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O3S/c1-25(18-7-3-2-4-8-18,14-23-27-19-9-5-6-10-22(19)31-23)24(28)26-15-17-11-12-20-21(13-17)30-16-29-20/h2-13H,14-16H2,1H3,(H,26,28)