N-[(3-butoxyphenyl)carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[(3-butoxyphenyl)carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[(3-butoxyphenyl)carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[(3-butoxyanilino)-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[(3-butoxyphenyl)carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[(3-butoxyphenyl)thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-2-3-16-30-24-14-8-12-22(19-24)27-26(32)28-25(29)21-11-7-13-23(18-21)31-17-15-20-9-5-4-6-10-20/h4-14,18-19H,2-3,15-17H2,1H3,(H2,27,28,29,32)