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

Systemtic Name: 3-methyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[oxo-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C23H20N4O3S2 MolecularWeight: 464.5599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3S2/c1-15-4-2-5-17(14-15)21(29)24-18-9-7-16(8-10-18)22(30)26-27-23(31)25-20(28)12-11-19-6-3-13-32-19/h2-14H,1H3,(H,24,29)(H,26,30)(H2,25,27,28,31)/b12-11+