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

Systemtic Name: 3-bromanyl-N-[[(4-chlorophenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[[(4-chlorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[(4-chlorobenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[(4-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=C(C=C2)Cl)Br

Isomeric SMILES

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

InChI

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