ethyl 2-[4-[4-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[4-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[4-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[4-[[(2-nitroanilino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[4-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C32H31N3O5S MolecularWeight: 569.67064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)SC2=CC=C(C=C2)N(CCCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C32H31N3O5S/c1-2-40-31(36)23-25-14-18-27(19-15-25)41-28-20-16-26(17-21-28)34(22-8-11-24-9-4-3-5-10-24)32(37)33-29-12-6-7-13-30(29)35(38)39/h3-7,9-10,12-21H,2,8,11,22-23H2,1H3,(H,33,37)