methyl 2-[2-[(3-methoxyphenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(3-methoxyphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(3-methoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-methoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(3-methoxyphenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC(=CC=C1)OC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC(=CC=C1)OC

InChI

InChI=1S/C17H25N3O4S/c1-4-5-9-14(16(22)24-3)20-15(21)11-18-17(25)19-12-7-6-8-13(10-12)23-2/h6-8,10,14H,4-5,9,11H2,1-3H3,(H,20,21)(H2,18,19,25)