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

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-3-isoamoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-13(2)9-10-29-16-6-4-5-14(11-16)19(26)23-21(30)25-24-20(27)15-7-8-18(28-3)17(22)12-15/h4-8,11-13H,9-10H2,1-3H3,(H,24,27)(H2,23,25,26,30)