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

Systemtic Name: 3-bromanyl-N-(2-diethylaminoethylcarbamothioyl)-4-methoxy-benzamide Openeye Name: 3-bromo-N-(2-diethylaminoethylcarbamothioyl)-4-methoxy-benzamide CAS Name: 3-bromo-N-[(2-diethylaminoethylamino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-(2-diethylaminoethylcarbamothioyl)-4-methoxybenzamide Traditional Name: 3-bromo-N-(2-diethylaminoethylthiocarbamoyl)-4-methoxy-benzamide Formula: C15H22BrN3O2S MolecularWeight: 388.32308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrN3O2S/c1-4-19(5-2)9-8-17-15(22)18-14(20)11-6-7-13(21-3)12(16)10-11/h6-7,10H,4-5,8-9H2,1-3H3,(H2,17,18,20,22)