3-methyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide CAS Name: 3-methyl-N-[4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]benzamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H19N3O2S2/c1-15-4-2-5-16(14-15)21(27)23-17-7-9-18(10-8-17)24-22(28)25-20(26)12-11-19-6-3-13-29-19/h2-14H,1H3,(H,23,27)(H2,24,25,26,28)/b12-11+