pentyl 2-[(3-cyanophenyl)carbamothioylamino]ethanoate

Systemtic Name: pentyl 2-[(3-cyanophenyl)carbamothioylamino]ethanoate Openeye Name: pentyl 2-[(3-cyanophenyl)carbamothioylamino]acetate CAS Name: 2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[(3-cyanophenyl)carbamothioylamino]acetate Traditional Name: 2-[(3-cyanophenyl)thiocarbamoylamino]acetic acid amyl ester Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=S)NC1=CC=CC(=C1)C#N

Isomeric SMILES

CCCCCOC(=O)CNC(=S)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C15H19N3O2S/c1-2-3-4-8-20-14(19)11-17-15(21)18-13-7-5-6-12(9-13)10-16/h5-7,9H,2-4,8,11H2,1H3,(H2,17,18,21)