methyl 4-[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[2,3-dihydro-1,4-benzodioxin-6-yl(2-thienylmethyl)carbamothioyl]amino]butanoate CAS Name: 4-[[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2,3-dihydro-1,4-benzodioxin-6-yl(thiophen-2-ylmethyl)carbamothioyl]amino]butanoate Traditional Name: 4-[[2,3-dihydro-1,4-benzodioxin-6-yl(2-thenyl)thiocarbamoyl]amino]butyric acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N(CC1=CC=CS1)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CCCNC(=S)N(CC1=CC=CS1)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H22N2O4S2/c1-23-18(22)5-2-8-20-19(26)21(13-15-4-3-11-27-15)14-6-7-16-17(12-14)25-10-9-24-16/h3-4,6-7,11-12H,2,5,8-10,13H2,1H3,(H,20,26)