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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]octanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]octanamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]octanamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]caprylamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NCC1=CC(=C(C=C1)OCCCC)OC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NCC1=CC(=C(C=C1)OCCCC)OC

InChI

InChI=1S/C21H34N2O3S/c1-4-6-8-9-10-11-20(24)23-21(27)22-16-17-12-13-18(19(15-17)25-3)26-14-7-5-2/h12-13,15H,4-11,14,16H2,1-3H3,(H2,22,23,24,27)