N-[(3-benzamidophenyl)carbamothioyl]-2-butoxy-benzamide

Systemtic Name: N-[(3-benzamidophenyl)carbamothioyl]-2-butoxy-benzamide Openeye Name: N-[(3-benzamidophenyl)carbamothioyl]-2-butoxy-benzamide CAS Name: N-[(3-benzamidoanilino)-sulfanylidenemethyl]-2-butoxybenzamide IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-2-butoxybenzamide Traditional Name: N-[(3-benzamidophenyl)thiocarbamoyl]-2-butoxy-benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-2-3-16-31-22-15-8-7-14-21(22)24(30)28-25(32)27-20-13-9-12-19(17-20)26-23(29)18-10-5-4-6-11-18/h4-15,17H,2-3,16H2,1H3,(H,26,29)(H2,27,28,30,32)