5-bromanyl-N-(4-methylpiperazin-1-yl)carbothioyl-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-(4-methylpiperazin-1-yl)carbothioyl-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-(4-methylpiperazine-1-carbothioyl)-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-(4-methylpiperazine-1-carbothioyl)-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-(4-methylpiperazine-1-carbothioyl)-2-phenethyloxy-benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2S/c1-24-10-12-25(13-11-24)21(28)23-20(26)18-15-17(22)7-8-19(18)27-14-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,26,28)