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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-heptoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(4-heptoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-heptoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-heptoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-heptoxyphenyl)thiocarbamoyl]benzamide Formula: C25H33BrN2O3S MolecularWeight: 521.51012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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