2-[2-[(3-cyanophenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide

Systemtic Name: 2-[2-[(3-cyanophenyl)carbamothioylamino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[(3-cyanophenyl)carbamothioylamino]acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[(3-cyanophenyl)carbamothioylamino]acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-[(3-cyanophenyl)thiocarbamoylamino]acetyl]amino]-4-methyl-valeramide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-10(2)6-13(15(18)23)21-14(22)9-19-16(24)20-12-5-3-4-11(7-12)8-17/h3-5,7,10,13H,6,9H2,1-2H3,(H2,18,23)(H,21,22)(H2,19,20,24)