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

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

Isomeric SMILES

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

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)20-9-14-24(23(27)18-20)32-17-15-19(2)3/h9-14,18-19H,4-8,15-17H2,1-3H3,(H2,28,29,30,33)