3-bromanyl-N-[(2-chlorophenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-chlorophenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(2-chlorophenyl)methylcarbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2-chlorophenyl)methylcarbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(2-chlorobenzyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C20H22BrClN2O2S MolecularWeight: 469.82288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2Cl)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CC=C2Cl)Br

InChI

InChI=1S/C20H22BrClN2O2S/c1-13(2)9-10-26-18-8-7-14(11-16(18)21)19(25)24-20(27)23-12-15-5-3-4-6-17(15)22/h3-8,11,13H,9-10,12H2,1-2H3,(H2,23,24,25,27)