methyl 2-[2-[(4-methoxyphenyl)methylcarbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(4-methoxyphenyl)methylcarbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(4-methoxyphenyl)methylcarbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methoxyphenyl)methylcarbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-(p-anisylthiocarbamoylamino)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)NCC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NCC1=CC=C(C=C1)OC

InChI

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