1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(2S)-2-(2,3-dimethylphenoxy)-1-oxopropyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[(2S)-2-(2,3-dimethylphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@@H](C)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H20N4O4S/c1-11-5-4-6-16(12(11)2)26-13(3)17(23)20-21-18(27)19-14-7-9-15(10-8-14)22(24)25/h4-10,13H,1-3H3,(H,20,23)(H2,19,21,27)/t13-/m0/s1