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

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-(2-methoxyethoxy)benzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-5-bromo-2-(2-methoxyethoxy)benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O3S/c1-28-13-14-29-20-8-7-18(23)15-19(20)21(27)24-22(30)26-11-9-25(10-12-26)16-17-5-3-2-4-6-17/h2-8,15H,9-14,16H2,1H3,(H,24,27,30)