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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3S/c1-5-6-9-23-15-8-7-14(11-16(15)22-4)12-19-18(24)20-17(21)10-13(2)3/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H2,19,20,21,24)