3,4,5-trimethoxy-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCO

InChI

InChI=1S/C21H25N3O6S/c1-28-16-11-13(12-17(29-2)18(16)30-3)19(26)24-21(31)23-15-8-5-4-7-14(15)20(27)22-9-6-10-25/h4-5,7-8,11-12,25H,6,9-10H2,1-3H3,(H,22,27)(H2,23,24,26,31)