1-[(2S)-1-[2-[(2-methylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-[(2S)-1-[2-[(2-methylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]urea Openeye Name: [(1S)-3-methylsulfanyl-1-[(o-tolylcarbamothioylamino)carbamoyl]propyl]urea CAS Name: [(2S)-1-[[(2-methylanilino)-sulfanylidenemethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]urea IUPAC Name: [(2S)-1-[2-[(2-methylphenyl)carbamothioyl]hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]urea Traditional Name: [(1S)-3-(methylthio)-1-[(o-tolylthiocarbamoylamino)carbamoyl]propyl]urea Formula: C14H21N5O2S2 MolecularWeight: 355.47884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C14H21N5O2S2/c1-9-5-3-4-6-10(9)17-14(22)19-18-12(20)11(7-8-23-2)16-13(15)21/h3-6,11H,7-8H2,1-2H3,(H,18,20)(H3,15,16,21)(H2,17,19,22)/t11-/m0/s1