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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H25N3O5S/c1-5-7-18(25)22-14-8-6-9-15(12-14)23-21(30)24-20(26)13-10-16(27-2)19(29-4)17(11-13)28-3/h6,8-12H,5,7H2,1-4H3,(H,22,25)(H2,23,24,26,30)