N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-4-methyl-benzamide

Systemtic Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]-4-methyl-benzamide CAS Name: N-[(E)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]-4-methyl-benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CS2)/C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C21H22N4O2S/c1-16-5-7-17(8-6-16)20(26)24-19(14-18-4-2-13-28-18)21(27)23-9-3-11-25-12-10-22-15-25/h2,4-8,10,12-15H,3,9,11H2,1H3,(H,23,27)(H,24,26)/b19-14+