5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C26H34BrN3O4S MolecularWeight: 564.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C26H34BrN3O4S/c1-4-5-6-7-15-33-21-11-8-19(9-12-21)24(31)29-30-26(35)28-25(32)22-17-20(27)10-13-23(22)34-16-14-18(2)3/h8-13,17-18H,4-7,14-16H2,1-3H3,(H,29,31)(H2,28,30,32,35)