3-bromanyl-N-(heptylcarbamothioyl)-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-(heptylcarbamothioyl)-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-(heptylcarbamothioyl)-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[(heptylamino)-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-(heptylcarbamothioyl)-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-(heptylthiocarbamoyl)-4-(2-methoxyethoxy)benzamide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCOC)Br

Isomeric SMILES

CCCCCCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCOC)Br

InChI

InChI=1S/C18H27BrN2O3S/c1-3-4-5-6-7-10-20-18(25)21-17(22)14-8-9-16(15(19)13-14)24-12-11-23-2/h8-9,13H,3-7,10-12H2,1-2H3,(H2,20,21,22,25)