N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3)OC

InChI

InChI=1S/C28H32N2O5S/c1-3-4-16-34-25-15-14-21(19-26(25)32-2)20-29-28(36)30-27(31)23-12-8-9-13-24(23)35-18-17-33-22-10-6-5-7-11-22/h5-15,19H,3-4,16-18,20H2,1-2H3,(H2,29,30,31,36)