3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-heptoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[(3-heptoxyanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[(3-heptoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[(3-heptoxyphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C25H33BrN2O3S MolecularWeight: 521.51012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN2O3S/c1-4-5-6-7-8-14-30-21-11-9-10-20(16-21)27-25(32)28-24(29)19-12-13-23(22(26)15-19)31-17-18(2)3/h9-13,15-16,18H,4-8,14,17H2,1-3H3,(H2,27,28,29,32)