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ethanedioic acid; N-(3-methoxyphenyl)-3-[2-(1-methylimidazol-2-yl)sulfanylethylamino]butanamide

ethanedioic acid; N-(3-methoxyphenyl)-3-[2-(1-methylimidazol-2-yl)sulfanylethylamino]butanamide

Systemtic Name:ethanedioic acid; N-(3-methoxyphenyl)-3-[2-(1-methylimidazol-2-yl)sulfanylethylamino]butanamide
Openeye Name:N-(3-methoxyphenyl)-3-[2-(1-methylimidazol-2-yl)sulfanylethylamino]butanamide; oxalic acid
CAS Name:N-(3-methoxyphenyl)-3-[2-[(1-methyl-2-imidazolyl)thio]ethylamino]butanamide; oxalic acid
IUPAC Name:N-(3-methoxyphenyl)-3-[2-(1-methylimidazol-2-yl)sulfanylethylamino]butanamide; oxalic acid
Traditional Name:N-(3-methoxyphenyl)-3-[2-[(1-methylimidazol-2-yl)thio]ethylamino]butyramide; oxalic acid
Formula: C19H26N4O6S
MolecularWeight: 438.49794
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)OC)NCCSC2=NC=CN2C.C(=O)(C(=O)O)O


Isomeric SMILES

CC(CC(=O)NC1=CC(=CC=C1)OC)NCCSC2=NC=CN2C.C(=O)(C(=O)O)O


InChI

InChI=1S/C17H24N4O2S.C2H2O4/c1-13(18-8-10-24-17-19-7-9-21(17)2)11-16(22)20-14-5-4-6-15(12-14)23-3;3-1(4)2(5)6/h4-7,9,12-13,18H,8,10-11H2,1-3H3,(H,20,22);(H,3,4)(H,5,6)


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