N-phenethyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C23H21N3O2S2/c27-21(13-12-18-9-6-16-30-18)26-23(29)25-20-11-5-4-10-19(20)22(28)24-15-14-17-7-2-1-3-8-17/h1-13,16H,14-15H2,(H,24,28)(H2,25,26,27,29)/b13-12+