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

Systemtic Name: N-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-phenyl-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-phenylbenzamide IUPAC Name: N-phenyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-phenyl-2-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S2/c25-19(13-12-16-9-6-14-28-16)24-21(27)23-18-11-5-4-10-17(18)20(26)22-15-7-2-1-3-8-15/h1-14H,(H,22,26)(H2,23,24,25,27)/b13-12+