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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C16H16ClN3O3S2/c17-12-1-4-14(5-2-12)25-8-7-18-16(24)19-10-11-9-13(20(22)23)3-6-15(11)21/h1-6,9,21H,7-8,10H2,(H2,18,19,24)