3,4-dimethyl-N-[3-oxidanylidene-3-(2-pyrazol-1-ylethylamino)-1-thiophen-2-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 3,4-dimethyl-N-[3-oxidanylidene-3-(2-pyrazol-1-ylethylamino)-1-thiophen-2-yl-prop-1-en-2-yl]benzamide Openeye Name: 3,4-dimethyl-N-[1-(2-pyrazol-1-ylethylcarbamoyl)-2-(2-thienyl)vinyl]benzamide CAS Name: 3,4-dimethyl-N-[3-oxo-3-[2-(1-pyrazolyl)ethylamino]-1-thiophen-2-ylprop-1-en-2-yl]benzamide IUPAC Name: 3,4-dimethyl-N-[3-oxo-3-(2-pyrazol-1-ylethylamino)-1-thiophen-2-ylprop-1-en-2-yl]benzamide Traditional Name: 3,4-dimethyl-N-[1-(2-pyrazol-1-ylethylcarbamoyl)-2-(2-thienyl)vinyl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCCN3C=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=CC2=CC=CS2)C(=O)NCCN3C=CC=N3)C

InChI

InChI=1S/C21H22N4O2S/c1-15-6-7-17(13-16(15)2)20(26)24-19(14-18-5-3-12-28-18)21(27)22-9-11-25-10-4-8-23-25/h3-8,10,12-14H,9,11H2,1-2H3,(H,22,27)(H,24,26)