4-[2-(1-benzothiophen-3-yl)ethanoyl]-N-(4-bromanyl-3-methyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(1-benzothiophen-3-yl)ethanoyl]-N-(4-bromanyl-3-methyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(benzothiophen-3-yl)acetyl]-N-(4-bromo-3-methyl-phenyl)piperazine-1-carboxamide CAS Name: 4-[2-(1-benzothiophen-3-yl)-1-oxoethyl]-N-(4-bromo-3-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(4-bromo-3-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(benzothiophen-3-yl)acetyl]-N-(4-bromo-3-methyl-phenyl)piperazine-1-carboxamide Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)N2CCN(CC2)C(=O)CC3=CSC4=CC=CC=C43)Br

InChI

InChI=1S/C22H22BrN3O2S/c1-15-12-17(6-7-19(15)23)24-22(28)26-10-8-25(9-11-26)21(27)13-16-14-29-20-5-3-2-4-18(16)20/h2-7,12,14H,8-11,13H2,1H3,(H,24,28)