N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: 3-butoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: 3-butoxy-N-[(4-butyramidophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC

InChI

InChI=1S/C22H27N3O3S/c1-3-5-14-28-19-9-6-8-16(15-19)21(27)25-22(29)24-18-12-10-17(11-13-18)23-20(26)7-4-2/h6,8-13,15H,3-5,7,14H2,1-2H3,(H,23,26)(H2,24,25,27,29)