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

Systemtic Name: 5-bromanyl-N-[(4-hexoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[(4-hexoxyanilino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(4-hexoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(4-hexoxyphenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C25H33BrN2O3S MolecularWeight: 521.51012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O3S/c1-4-5-6-7-15-30-21-11-9-20(10-12-21)27-25(32)28-24(29)22-17-19(26)8-13-23(22)31-16-14-18(2)3/h8-13,17-18H,4-7,14-16H2,1-3H3,(H2,27,28,29,32)