5-bromanyl-N-(4-phenylpiperazin-1-yl)carbothioyl-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-(4-phenylpiperazin-1-yl)carbothioyl-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 5-bromo-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-(4-phenylpiperazine-1-carbothioyl)-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2S/c1-15(2)27-19-9-8-16(22)14-18(19)20(26)23-21(28)25-12-10-24(11-13-25)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H,23,26,28)