3-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C27H35BrN2O3S MolecularWeight: 547.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3)Br

InChI

InChI=1S/C27H35BrN2O3S/c1-19(2)14-16-33-25-13-8-21(18-24(25)28)26(31)30-27(34)29-22-9-11-23(12-10-22)32-17-15-20-6-4-3-5-7-20/h8-13,18-20H,3-7,14-17H2,1-2H3,(H2,29,30,31,34)