N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C25H26N2O3S MolecularWeight: 434.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O3S/c1-30-23-11-7-10-22(18-23)27(16-5-6-17-28)25(31)26-24(29)21-14-12-20(13-15-21)19-8-3-2-4-9-19/h2-4,7-15,18,28H,5-6,16-17H2,1H3,(H,26,29,31)