N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-(4-methylphenoxy)butanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-(homoveratrylthiocarbamoyl)-4-(4-methylphenoxy)butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-16-6-9-18(10-7-16)28-14-4-5-21(25)24-22(29)23-13-12-17-8-11-19(26-2)20(15-17)27-3/h6-11,15H,4-5,12-14H2,1-3H3,(H2,23,24,25,29)