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

Systemtic Name: N,N-dipropyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N,N-dipropyl-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-dipropylbenzamide IUPAC Name: N,N-dipropyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N,N-dipropyl-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C21H25N3O2S2/c1-3-12-24(13-4-2)20(26)16-7-5-8-17(15-16)22-21(27)23-19(25)11-10-18-9-6-14-28-18/h5-11,14-15H,3-4,12-13H2,1-2H3,(H2,22,23,25,27)/b11-10+