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

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[2-[(4-chlorophenyl)thio]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O3S2/c1-27-18-12-14(24(25)26)8-11-16(18)22-20(28)23-17-4-2-3-5-19(17)29-15-9-6-13(21)7-10-15/h2-12H,1H3,(H2,22,23,28)