5-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-2-propan-2-yloxy-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-propan-2-yloxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-isopropoxy-benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2S/c1-16(2)28-20-9-8-18(23)14-19(20)21(27)24-22(29)26-12-10-25(11-13-26)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,27,29)