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

Systemtic Name: 2-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 2-bromo-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 2-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN2O2S/c1-2-3-4-5-8-14-26-17-11-9-10-16(15-17)23-21(27)24-20(25)18-12-6-7-13-19(18)22/h6-7,9-13,15H,2-5,8,14H2,1H3,(H2,23,24,25,27)