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

Systemtic Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(4-methylsulfanylphenyl)vinyl]-3,4-dimethoxy-benzamide CAS Name: N-[(Z)-3-[3-(1-imidazolyl)propylamino]-1-[4-(methylthio)phenyl]-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[4-(methylthio)phenyl]vinyl]-3,4-dimethoxy-benzamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)SC)C(=O)NCCCN3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)SC)/C(=O)NCCCN3C=CN=C3)OC

InChI

InChI=1S/C25H28N4O4S/c1-32-22-10-7-19(16-23(22)33-2)24(30)28-21(15-18-5-8-20(34-3)9-6-18)25(31)27-11-4-13-29-14-12-26-17-29/h5-10,12,14-17H,4,11,13H2,1-3H3,(H,27,31)(H,28,30)/b21-15-