5-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[(4-hexoxyanilino)-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(4-hexoxyphenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H25BrN2O3S/c1-3-4-5-6-13-27-17-10-8-16(9-11-17)23-21(28)24-20(25)18-14-15(22)7-12-19(18)26-2/h7-12,14H,3-6,13H2,1-2H3,(H2,23,24,25,28)