1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(4-ethoxy-5-methoxy-2-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-[(4-ethoxy-5-methoxy-2-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-ethoxy-5-methoxy-2-nitro-benzoyl)amino]thiourea CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[[(4-ethoxy-5-methoxy-2-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)amino]thiourea Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(4-ethoxy-5-methoxy-2-nitro-benzoyl)amino]thiourea Formula: C18H16ClF3N4O5S MolecularWeight: 492.85665

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NNC(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC

InChI

InChI=1S/C18H16ClF3N4O5S/c1-3-31-15-8-13(26(28)29)10(7-14(15)30-2)16(27)24-25-17(32)23-12-6-9(18(20,21)22)4-5-11(12)19/h4-8H,3H2,1-2H3,(H,24,27)(H2,23,25,32)