4-[[(E)-2-benzamido-3-(4-chlorophenyl)sulfanyl-3-phenyl-prop-2-enoyl]amino]butylazanium

Systemtic Name: 4-[[(E)-2-benzamido-3-(4-chlorophenyl)sulfanyl-3-phenyl-prop-2-enoyl]amino]butylazanium Openeye Name: 4-[[(E)-2-benzamido-3-(4-chlorophenyl)sulfanyl-3-phenyl-prop-2-enoyl]amino]butylammonium CAS Name: 4-[[(E)-2-benzamido-3-[(4-chlorophenyl)thio]-1-oxo-3-phenylprop-2-enyl]amino]butylammonium IUPAC Name: 4-[[(E)-2-benzamido-3-(4-chlorophenyl)sulfanyl-3-phenylprop-2-enoyl]amino]butylazanium Traditional Name: 4-[[(E)-2-benzamido-3-[(4-chlorophenyl)thio]-3-phenyl-acryloyl]amino]butylammonium Formula: C26H27ClN3O2S+ MolecularWeight: 481.02948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C(=O)NCCCC[NH3+])NC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C(=O)NCCCC[NH3+])\NC(=O)C2=CC=CC=C2)/SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H26ClN3O2S/c27-21-13-15-22(16-14-21)33-24(19-9-3-1-4-10-19)23(26(32)29-18-8-7-17-28)30-25(31)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18,28H2,(H,29,32)(H,30,31)/p+1/b24-23+