N-(2-aminophenyl)-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-thiophen-3-yl-prop-2-enoyl]amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-thiophen-3-yl-prop-2-enoyl]amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-(3-thienyl)prop-2-enoyl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[(E)-3-[4-(methylthio)phenyl]-1-oxo-2-(3-thiophenyl)prop-2-enyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[[(E)-3-(4-methylsulfanylphenyl)-2-thiophen-3-ylprop-2-enoyl]amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[(E)-3-[4-(methylthio)phenyl]-2-(3-thienyl)acryloyl]amino]methyl]benzamide Formula: C28H25N3O2S2 MolecularWeight: 499.647

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C2=CSC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C2=CSC=C2)/C(=O)NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C28H25N3O2S2/c1-34-23-12-8-19(9-13-23)16-24(22-14-15-35-18-22)28(33)30-17-20-6-10-21(11-7-20)27(32)31-26-5-3-2-4-25(26)29/h2-16,18H,17,29H2,1H3,(H,30,33)(H,31,32)/b24-16+