3-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(4-heptoxyphenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O3S/c1-3-4-5-6-7-14-28-18-11-9-17(10-12-18)24-22(29)25-21(26)16-8-13-20(27-2)19(23)15-16/h8-13,15H,3-7,14H2,1-2H3,(H2,24,25,26,29)