1-[(2S)-1-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]-2-methyl-propyl]urea CAS Name: [(2S)-1-[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[[(4-chlorophenyl)thiocarbamoylamino]carbamoyl]-2-methyl-propyl]urea Formula: C13H18ClN5O2S MolecularWeight: 343.83232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=S)NC1=CC=C(C=C1)Cl)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=S)NC1=CC=C(C=C1)Cl)NC(=O)N

InChI

InChI=1S/C13H18ClN5O2S/c1-7(2)10(17-12(15)21)11(20)18-19-13(22)16-9-5-3-8(14)4-6-9/h3-7,10H,1-2H3,(H,18,20)(H3,15,17,21)(H2,16,19,22)/t10-/m0/s1