3-methyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-13(2)12-18(24)20-14-5-7-15(8-6-14)21-19(25)22-17(23)10-9-16-4-3-11-26-16/h3-11,13H,12H2,1-2H3,(H,20,24)(H2,21,22,23,25)/b10-9+