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

Systemtic Name: 3-bromanyl-N-(4-methylpiperazin-1-yl)carbothioyl-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-(4-methylpiperazine-1-carbothioyl)-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-(4-methylpiperazine-1-carbothioyl)-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-(4-methylpiperazine-1-carbothioyl)-4-phenethyloxy-benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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