1-(3-chloranyl-2-methyl-phenyl)-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(4-ethoxy-3-nitro-phenyl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[(4-ethoxy-3-nitro-benzoyl)amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(4-ethoxy-3-nitrobenzoyl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(4-ethoxy-3-nitro-benzoyl)amino]thiourea Formula: C17H17ClN4O4S MolecularWeight: 408.85928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O4S/c1-3-26-15-8-7-11(9-14(15)22(24)25)16(23)20-21-17(27)19-13-6-4-5-12(18)10(13)2/h4-9H,3H2,1-2H3,(H,20,23)(H2,19,21,27)