3-bromanyl-N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[4-chloranyl-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-chloro-3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C26H31BrClN3O3S MolecularWeight: 580.96464

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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)Cl)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C26H31BrClN3O3S/c1-16(2)12-13-34-23-11-8-17(14-21(23)27)24(32)31-26(35)30-19-9-10-22(28)20(15-19)25(33)29-18-6-4-3-5-7-18/h8-11,14-16,18H,3-7,12-13H2,1-2H3,(H,29,33)(H2,30,31,32,35)