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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-methyl-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-4-methyl-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-4-methylbenzamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]-4-methyl-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-5-12-26-18-11-8-16(13-19(18)25-3)14-22-21(27)23-20(24)17-9-6-15(2)7-10-17/h6-11,13H,4-5,12,14H2,1-3H3,(H2,22,23,24,27)