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

Systemtic Name: 3-bromanyl-N-[(3-hexoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(3-hexoxyphenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(3-hexoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(3-hexoxyphenyl)thiocarbamoyl]-4-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=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

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

InChI

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