1-(4-chlorophenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]thiourea Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18ClN3O4S/c1-24-15-9-11(14(21(22)23)10-16(15)25-2)7-8-19-17(26)20-13-5-3-12(18)4-6-13/h3-6,9-10H,7-8H2,1-2H3,(H2,19,20,26)