N-(benzamidocarbamothioyl)-3-bromanyl-4-(3-methylbutoxy)benzamide

Systemtic Name: N-(benzamidocarbamothioyl)-3-bromanyl-4-(3-methylbutoxy)benzamide Openeye Name: N-(benzamidocarbamothioyl)-3-bromo-4-isopentyloxy-benzamide CAS Name: N-[(benzoylhydrazo)-sulfanylidenemethyl]-3-bromo-4-(3-methylbutoxy)benzamide IUPAC Name: N-(benzamidocarbamothioyl)-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-(benzamidothiocarbamoyl)-3-bromo-4-isoamoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-13(2)10-11-27-17-9-8-15(12-16(17)21)18(25)22-20(28)24-23-19(26)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)(H2,22,24,25,28)