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

Systemtic Name: 5-bromanyl-2-butoxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[(3-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[(3-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[(3-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C25H33BrN2O3S MolecularWeight: 521.51012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O3S/c1-3-5-7-8-9-16-30-21-12-10-11-20(18-21)27-25(32)28-24(29)22-17-19(26)13-14-23(22)31-15-6-4-2/h10-14,17-18H,3-9,15-16H2,1-2H3,(H2,27,28,29,32)