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

Systemtic Name: 2-[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]ethanoylamino]-4-methyl-pentanamide Openeye Name: 2-[[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]acetyl]amino]-4-methyl-pentanamide CAS Name: 2-[[2-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]-4-methylpentanamide IUPAC Name: 2-[[2-[(3,4-dichlorophenyl)methylcarbamothioylamino]acetyl]amino]-4-methylpentanamide Traditional Name: 2-[[2-[(3,4-dichlorobenzyl)thiocarbamoylamino]acetyl]amino]-4-methyl-valeramide Formula: C16H22Cl2N4O2S MolecularWeight: 405.34248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22Cl2N4O2S/c1-9(2)5-13(15(19)24)22-14(23)8-21-16(25)20-7-10-3-4-11(17)12(18)6-10/h3-4,6,9,13H,5,7-8H2,1-2H3,(H2,19,24)(H,22,23)(H2,20,21,25)