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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(3-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C23H29BrN2O3S MolecularWeight: 493.45696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN2O3S/c1-3-5-6-7-8-14-29-19-11-9-10-18(16-19)25-23(30)26-22(27)17-12-13-21(28-4-2)20(24)15-17/h9-13,15-16H,3-8,14H2,1-2H3,(H2,25,26,27,30)