3-bromanyl-N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[4-(2-hydroxyethyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: 3-bromo-N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-(2-hydroxyethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C15H20BrN3O2S MolecularWeight: 386.3072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CCO)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CCO)Br

InChI

InChI=1S/C15H20BrN3O2S/c1-11-2-3-12(10-13(11)16)14(21)17-15(22)19-6-4-18(5-7-19)8-9-20/h2-3,10,20H,4-9H2,1H3,(H,17,21,22)