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

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

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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)OC)Br

Isomeric SMILES

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

InChI

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