1-[(2S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[2-[(2-ethyl-6-methyl-phenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-1-[[(2-ethyl-6-methyl-phenyl)carbamothioylamino]carbamoyl]-3-methylsulfanyl-propyl]urea CAS Name: [(2S)-1-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[2-[(2-ethyl-6-methylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-1-[[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]carbamoyl]-3-(methylthio)propyl]urea Formula: C16H25N5O2S2 MolecularWeight: 383.532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O2S2/c1-4-11-7-5-6-10(2)13(11)19-16(24)21-20-14(22)12(8-9-25-3)18-15(17)23/h5-7,12H,4,8-9H2,1-3H3,(H,20,22)(H3,17,18,23)(H2,19,21,24)/t12-/m0/s1