1-[(2S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]-2-methyl-propyl]urea CAS Name: [(2S)-1-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]carbamoyl]-2-methyl-propyl]urea Formula: C16H25N5O2S MolecularWeight: 351.467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C(C(C)C)NC(=O)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)[C@H](C(C)C)NC(=O)N)C

InChI

InChI=1S/C16H25N5O2S/c1-5-11-8-6-7-10(4)13(11)19-16(24)21-20-14(22)12(9(2)3)18-15(17)23/h6-9,12H,5H2,1-4H3,(H,20,22)(H3,17,18,23)(H2,19,21,24)/t12-/m0/s1