(3-phenylazanylphenyl) 4-[4-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]butanoate

Systemtic Name: (3-phenylazanylphenyl) 4-[4-[[azanyl(thiophen-2-yl)methylidene]amino]phenyl]butanoate Openeye Name: (3-anilinophenyl) 4-[4-[[amino(2-thienyl)methylene]amino]phenyl]butanoate CAS Name: 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]butanoic acid (3-anilinophenyl) ester IUPAC Name: (3-anilinophenyl) 4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]butanoate Traditional Name: 4-[4-[[amino(2-thienyl)methylene]amino]phenyl]butyric acid (3-anilinophenyl) ester Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=CC=C2)OC(=O)CCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC(=CC=C2)OC(=O)CCCC3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

InChI=1S/C27H25N3O2S/c28-27(25-12-6-18-33-25)30-22-16-14-20(15-17-22)7-4-13-26(31)32-24-11-5-10-23(19-24)29-21-8-2-1-3-9-21/h1-3,5-6,8-12,14-19,29H,4,7,13H2,(H2,28,30)