N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: 3,4-dimethyl-N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-13-6-7-16(10-14(13)2)20(25)23-21(27)22-17-5-3-4-15(11-17)19-9-8-18(12-24)26-19/h3-11,24H,12H2,1-2H3,(H2,22,23,25,27)