(2R)-2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide

Systemtic Name: (2R)-2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide Openeye Name: (2R)-2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-(p-tolyl)propanamide CAS Name: (2R)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-ethylamino]-N-(4-methylphenyl)propanamide IUPAC Name: (2R)-2-[1,3-benzodioxol-5-ylmethylcarbamothioyl(ethyl)amino]-N-(4-methylphenyl)propanamide Traditional Name: (2R)-2-[ethyl(piperonylthiocarbamoyl)amino]-N-(p-tolyl)propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)C(=O)NC1=CC=C(C=C1)C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCN([C@H](C)C(=O)NC1=CC=C(C=C1)C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H25N3O3S/c1-4-24(15(3)20(25)23-17-8-5-14(2)6-9-17)21(28)22-12-16-7-10-18-19(11-16)27-13-26-18/h5-11,15H,4,12-13H2,1-3H3,(H,22,28)(H,23,25)/t15-/m1/s1