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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-phenoxy-butanamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-4-phenoxybutanamide Traditional Name: N-(homoveratrylthiocarbamoyl)-4-phenoxy-butyramide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)CCCOC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)CCCOC2=CC=CC=C2)OC

InChI

InChI=1S/C21H26N2O4S/c1-25-18-11-10-16(15-19(18)26-2)12-13-22-21(28)23-20(24)9-6-14-27-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H2,22,23,24,28)