1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]-1-[2-(4-nitrophenyl)ethyl]-3-phenethyl-thiourea

Systemtic Name: 1-[3-(3-methoxy-4-oxidanyl-phenyl)propyl]-1-[2-(4-nitrophenyl)ethyl]-3-phenethyl-thiourea Openeye Name: 1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-1-[2-(4-nitrophenyl)ethyl]-3-phenethyl-thiourea CAS Name: 1-[3-(4-hydroxy-3-methoxyphenyl)propyl]-1-[2-(4-nitrophenyl)ethyl]-3-phenethylthiourea IUPAC Name: 1-[3-(4-hydroxy-3-methoxyphenyl)propyl]-1-[2-(4-nitrophenyl)ethyl]-3-phenethylthiourea Traditional Name: 1-[3-(4-hydroxy-3-methoxy-phenyl)propyl]-1-[2-(4-nitrophenyl)ethyl]-3-phenethyl-thiourea Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCN(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCCN(CCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)NCCC3=CC=CC=C3)O

InChI

InChI=1S/C27H31N3O4S/c1-34-26-20-23(11-14-25(26)31)8-5-18-29(19-16-22-9-12-24(13-10-22)30(32)33)27(35)28-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,28,35)