N-[4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[[(E)-3-(2-furyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C20H22N4O4S MolecularWeight: 414.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C20H22N4O4S/c1-13(2)12-18(26)21-15-7-5-14(6-8-15)19(27)23-24-20(29)22-17(25)10-9-16-4-3-11-28-16/h3-11,13H,12H2,1-2H3,(H,21,26)(H,23,27)(H2,22,24,25,29)/b10-9+