methyl 2-[2-[(2-ethoxyphenyl)carbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(2-ethoxyphenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-ethoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-ethoxyphenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-(o-phenetylthiocarbamoylamino)acetyl]amino]hexanoic acid methyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC=C1OCC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC1=CC=CC=C1OCC

InChI

InChI=1S/C18H27N3O4S/c1-4-6-9-14(17(23)24-3)20-16(22)12-19-18(26)21-13-10-7-8-11-15(13)25-5-2/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,20,22)(H2,19,21,26)