3-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-(2-diethylaminoethylcarbamothioyl)-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-(2-diethylaminoethylcarbamothioyl)-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-(2-diethylaminoethylthiocarbamoyl)-4-isoamoxy-benzamide Formula: C19H30BrN3O2S MolecularWeight: 444.4294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC(C)C)Br

Isomeric SMILES

CCN(CC)CCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC(C)C)Br

InChI

InChI=1S/C19H30BrN3O2S/c1-5-23(6-2)11-10-21-19(26)22-18(24)15-7-8-17(16(20)13-15)25-12-9-14(3)4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H2,21,22,24,26)