N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]benzamide CAS Name: N-[(E)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C20H20N4O2S/c25-19(16-6-2-1-3-7-16)23-18(14-17-8-4-13-27-17)20(26)22-9-5-11-24-12-10-21-15-24/h1-4,6-8,10,12-15H,5,9,11H2,(H,22,26)(H,23,25)/b18-14+