methyl 2-[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(3,4-dichlorobenzyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H23Cl2N3O3S MolecularWeight: 420.35382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23Cl2N3O3S/c1-3-4-5-14(16(24)25-2)22-15(23)10-21-17(26)20-9-11-6-7-12(18)13(19)8-11/h6-8,14H,3-5,9-10H2,1-2H3,(H,22,23)(H2,20,21,26)