5-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C24H31BrN2O4S MolecularWeight: 523.48294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCOC

InChI

InChI=1S/C24H31BrN2O4S/c1-3-4-5-6-7-13-30-20-10-8-9-19(17-20)26-24(32)27-23(28)21-16-18(25)11-12-22(21)31-15-14-29-2/h8-12,16-17H,3-7,13-15H2,1-2H3,(H2,26,27,28,32)