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

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: 3,5-diethoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-4-7-20(26)23-16-8-10-17(11-9-16)24-22(30)25-21(27)15-12-18(28-5-2)14-19(13-15)29-6-3/h8-14H,4-7H2,1-3H3,(H,23,26)(H2,24,25,27,30)