5-bromanyl-N-[(4-methoxyphenyl)methylcarbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[(4-methoxyphenyl)methylcarbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 5-bromo-N-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[(4-methoxyphenyl)methylcarbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-2-isoamoxy-N-(p-anisylthiocarbamoyl)benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25BrN2O3S/c1-14(2)10-11-27-19-9-6-16(22)12-18(19)20(25)24-21(28)23-13-15-4-7-17(26-3)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3,(H2,23,24,25,28)