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

Systemtic Name: 3-bromanyl-N-[[(2-chlorophenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(2-chlorobenzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[(2-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[(2-chlorobenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[(2-chlorobenzoyl)amino]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Cl)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2Cl)Br

InChI

InChI=1S/C20H21BrClN3O3S/c1-12(2)9-10-28-17-8-7-13(11-15(17)21)18(26)23-20(29)25-24-19(27)14-5-3-4-6-16(14)22/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)(H2,23,25,26,29)