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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]pentanamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]pentanamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]pentanamide Traditional Name: N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]valeramide Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3S/c1-4-6-8-17(21)20-18(24)19-13-14-9-10-15(16(12-14)22-3)23-11-7-5-2/h9-10,12H,4-8,11,13H2,1-3H3,(H2,19,20,21,24)