1-(2-ethyl-6-methyl-phenyl)-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[(2S)-2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[(2S)-2-(4-nitrophenyl)sulfanylpropanoyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[(2S)-2-[(4-nitrophenyl)thio]propanoyl]amino]thiourea Formula: C19H22N4O3S2 MolecularWeight: 418.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N4O3S2/c1-4-14-7-5-6-12(2)17(14)20-19(27)22-21-18(24)13(3)28-16-10-8-15(9-11-16)23(25)26/h5-11,13H,4H2,1-3H3,(H,21,24)(H2,20,22,27)/t13-/m0/s1