ethanoic acid; methyl 4,5-dimethoxy-2-(piperidin-1-ylcarbothioylamino)benzoate

Systemtic Name: ethanoic acid; methyl 4,5-dimethoxy-2-(piperidin-1-ylcarbothioylamino)benzoate Openeye Name: acetic acid; methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate CAS Name: acetic acid; 4,5-dimethoxy-2-[[1-piperidinyl(sulfanylidene)methyl]amino]benzoic acid methyl ester IUPAC Name: acetic acid; methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate Traditional Name: acetic acid; 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoic acid methyl ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCCC2)OC

Isomeric SMILES

CC(=O)O.COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCCC2)OC

InChI

InChI=1S/C16H22N2O4S.C2H4O2/c1-20-13-9-11(15(19)22-3)12(10-14(13)21-2)17-16(23)18-7-5-4-6-8-18;1-2(3)4/h9-10H,4-8H2,1-3H3,(H,17,23);1H3,(H,3,4)