2-chloranyl-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 2-chloranyl-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 2-chloro-N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-4-methyl-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-12-2-8-16(17(21)10-12)19(25)23-20(27)22-14-5-3-13(4-6-14)18-9-7-15(11-24)26-18/h2-10,24H,11H2,1H3,(H2,22,23,25,27)