N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: 3-methyl-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]butyramide Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S/c1-11(2)9-16(21)19-17(23)18-13-5-3-12(4-6-13)15-8-7-14(10-20)22-15/h3-8,11,20H,9-10H2,1-2H3,(H2,18,19,21,23)