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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2

InChI

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