3-bromanyl-N-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(5-chloro-2-methyl-phenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(5-chloro-2-methylanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(5-chloro-2-methylphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(5-chloro-2-methyl-phenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C20H22BrClN2O2S MolecularWeight: 469.82288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C20H22BrClN2O2S/c1-12(2)8-9-26-18-7-5-14(10-16(18)21)19(25)24-20(27)23-17-11-15(22)6-4-13(17)3/h4-7,10-12H,8-9H2,1-3H3,(H2,23,24,25,27)