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

Systemtic Name: 3-phenyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]propanamide Openeye Name: 3-phenyl-N-[4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide CAS Name: N-[4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-phenylpropanamide IUPAC Name: 3-phenyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]propanamide Traditional Name: 3-phenyl-N-[4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]propionamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S2/c27-21(14-8-17-5-2-1-3-6-17)24-18-9-11-19(12-10-18)25-23(29)26-22(28)15-13-20-7-4-16-30-20/h1-7,9-13,15-16H,8,14H2,(H,24,27)(H2,25,26,28,29)/b15-13+