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

Systemtic Name: 5-bromanyl-N-[(4-heptoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[(4-heptoxyanilino)-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(4-heptoxyphenyl)carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[(4-heptoxyphenyl)thiocarbamoyl]-2-isoamoxy-benzamide Formula: C26H35BrN2O3S MolecularWeight: 535.5367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35BrN2O3S/c1-4-5-6-7-8-16-31-22-12-10-21(11-13-22)28-26(33)29-25(30)23-18-20(27)9-14-24(23)32-17-15-19(2)3/h9-14,18-19H,4-8,15-17H2,1-3H3,(H2,28,29,30,33)