methyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(piperonylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O4S/c1-22-17(21)9-12-2-5-14(6-3-12)20-18(25)19-10-13-4-7-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H2,19,20,25)