3-methyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[3-[[(E)-3-(5-phenyl-2-furyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: 3-methyl-N-[3-[[[[(E)-1-oxo-3-(5-phenyl-2-furanyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[3-[[(E)-3-(5-phenylfuran-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: 3-methyl-N-[3-[[(E)-3-(5-phenyl-2-furyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-17(2)15-24(30)26-19-9-6-10-20(16-19)27-25(32)28-23(29)14-12-21-11-13-22(31-21)18-7-4-3-5-8-18/h3-14,16-17H,15H2,1-2H3,(H,26,30)(H2,27,28,29,32)/b14-12+