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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-4-5-12-30-20-11-6-17(15-21(20)28-3)16-24-23(31)25-22(26)18-7-9-19(10-8-18)29-14-13-27-2/h6-11,15H,4-5,12-14,16H2,1-3H3,(H2,24,25,26,31)