methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)carbamothioylamino]propanoate

Systemtic Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)carbamothioylamino]propanoate Openeye Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-(p-tolylcarbamothioylamino)propanoate CAS Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)carbamothioylamino]propanoate Traditional Name: (3R)-3-(1,3-benzodioxol-5-yl)-3-(p-tolylthiocarbamoylamino)propionic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC(CC(=O)OC)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N[C@H](CC(=O)OC)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H20N2O4S/c1-12-3-6-14(7-4-12)20-19(26)21-15(10-18(22)23-2)13-5-8-16-17(9-13)25-11-24-16/h3-9,15H,10-11H2,1-2H3,(H2,20,21,26)/t15-/m1/s1