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

Systemtic Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-1-en-2-yl]-4-methyl-benzamide Openeye Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-4-methyl-benzamide CAS Name: N-[(Z)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-1-en-2-yl]-4-methylbenzamide IUPAC Name: N-[(Z)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-1-en-2-yl]-4-methylbenzamide Traditional Name: N-[(Z)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]vinyl]-4-methyl-benzamide Formula: C30H28N6O2S MolecularWeight: 536.64732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)NCCCN5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C(=O)NCCCN5C=CN=C5

InChI

InChI=1S/C30H28N6O2S/c1-22-10-12-23(13-11-22)29(37)33-26(30(38)32-14-6-16-35-17-15-31-21-35)19-24-20-36(25-7-3-2-4-8-25)34-28(24)27-9-5-18-39-27/h2-5,7-13,15,17-21H,6,14,16H2,1H3,(H,32,38)(H,33,37)/b26-19-