N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenyl)sulfanylpropanamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-piperonyl-propionamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H25NO3S/c1-14(26-17-8-6-16(7-9-17)21(2,3)4)20(23)22-12-15-5-10-18-19(11-15)25-13-24-18/h5-11,14H,12-13H2,1-4H3,(H,22,23)