3-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide Openeye Name: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide CAS Name: 3-chloro-N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide Traditional Name: 3-chloro-N-(homoveratrylthiocarbamoyl)benzamide Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S/c1-23-15-7-6-12(10-16(15)24-2)8-9-20-18(25)21-17(22)13-4-3-5-14(19)11-13/h3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22,25)