1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxy-5-nitro-phenyl)thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxy-5-nitro-phenyl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxy-5-nitro-phenyl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methoxy-5-nitrophenyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxy-5-nitrophenyl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]ethyl]-3-(2-methoxy-5-nitro-phenyl)thiourea Formula: C16H16ClN3O3S2 MolecularWeight: 397.89954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN3O3S2/c1-23-15-7-4-12(20(21)22)10-14(15)19-16(24)18-8-9-25-13-5-2-11(17)3-6-13/h2-7,10H,8-9H2,1H3,(H2,18,19,24)