N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-thiophen-2-yl-prop-1-en-2-yl]-3,4-dimethyl-benzamide Openeye Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]-3,4-dimethyl-benzamide CAS Name: N-[(Z)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide IUPAC Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]-3,4-dimethylbenzamide Traditional Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(2-thienyl)vinyl]-3,4-dimethyl-benzamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-16-6-7-18(13-17(16)2)21(27)25-20(14-19-5-3-12-29-19)22(28)24-8-4-10-26-11-9-23-15-26/h3,5-7,9,11-15H,4,8,10H2,1-2H3,(H,24,28)(H,25,27)/b20-14-