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

Systemtic Name: N-tert-butyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-tert-butyl-3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-tert-butyl-3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-tert-butyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-tert-butyl-3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]benzamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-19(2,3)22-17(24)13-6-4-7-14(12-13)20-18(25)21-16(23)10-9-15-8-5-11-26-15/h4-12H,1-3H3,(H,22,24)(H2,20,21,23,25)/b10-9+