2-[4-[3-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[3-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[3-[[(2-nitroanilino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[3-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[3-[(2-nitrophenyl)carbamoyl-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid Formula: C30H27N3O5S MolecularWeight: 541.61748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN(C2=CC(=CC=C2)SC3=CC=C(C=C3)CC(=O)O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C30H27N3O5S/c34-29(35)20-23-15-17-25(18-16-23)39-26-12-6-11-24(21-26)32(19-7-10-22-8-2-1-3-9-22)30(36)31-27-13-4-5-14-28(27)33(37)38/h1-6,8-9,11-18,21H,7,10,19-20H2,(H,31,36)(H,34,35)