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

Systemtic Name: 4-bromanyl-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide Openeye Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide CAS Name: 4-bromo-N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]benzamide Traditional Name: 4-bromo-N-(homoveratrylthiocarbamoyl)benzamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3S/c1-23-15-8-3-12(11-16(15)24-2)9-10-20-18(25)21-17(22)13-4-6-14(19)7-5-13/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22,25)