methyl 2-[[1,3-benzodioxol-5-yl-(morpholin-4-ylcarbothioylamino)methylidene]amino]ethanoate

Systemtic Name: methyl 2-[[1,3-benzodioxol-5-yl-(morpholin-4-ylcarbothioylamino)methylidene]amino]ethanoate Openeye Name: methyl 2-[[1,3-benzodioxol-5-yl-(morpholine-4-carbothioylamino)methylene]amino]acetate CAS Name: 2-[[1,3-benzodioxol-5-yl-[[4-morpholinyl(sulfanylidene)methyl]amino]methylidene]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[1,3-benzodioxol-5-yl-(morpholine-4-carbothioylamino)methylidene]amino]acetate Traditional Name: 2-[[1,3-benzodioxol-5-yl-(morpholine-4-carbothioylamino)methylene]amino]acetic acid methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN=C(C1=CC2=C(C=C1)OCO2)NC(=S)N3CCOCC3

Isomeric SMILES

COC(=O)CN=C(C1=CC2=C(C=C1)OCO2)NC(=S)N3CCOCC3

InChI

InChI=1S/C16H19N3O5S/c1-21-14(20)9-17-15(18-16(25)19-4-6-22-7-5-19)11-2-3-12-13(8-11)24-10-23-12/h2-3,8H,4-7,9-10H2,1H3,(H,17,18,25)