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

Systemtic Name: methyl 2-[2-[(3-cyanophenyl)carbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(3-cyanophenyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-cyanophenyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(3-cyanophenyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-3-4-8-14(16(23)24-2)21-15(22)11-19-17(25)20-13-7-5-6-12(9-13)10-18/h5-7,9,14H,3-4,8,11H2,1-2H3,(H,21,22)(H2,19,20,25)