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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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