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

Systemtic Name: 3-methyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[oxo-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S2/c1-13(2)12-18(26)21-15-7-5-14(6-8-15)19(27)23-24-20(28)22-17(25)10-9-16-4-3-11-29-16/h3-11,13H,12H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,25,28)/b10-9+